2-aminoethanol;2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;2-amino-3-methylpentanoic acid;2-morpholin-4-ylethanamine;propan-1-amine

C29H68N8O6 — CID 157279934

IUPAC2-aminoethanol;2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;2-amino-3-methylpentanoic acid;2-morpholin-4-ylethanamine;propan-1-amine
SMILESCCC(C)C(N)C(=O)NCCN1CCOCC1.CCC(C)C(N)C(=O)O.CCCN.NCCN1CCOCC1.NCCO
InChIInChI=1S/C12H25N3O2.C6H14N2O.C6H13NO2.C3H9N.C2H7NO/c1-3-10(2)11(13)12(16)14-4-5-15-6-8-17-9-7-15;7-1-2-8-3-5-9-6-4-8;1-3-4(2)5(7)6(8)9;1-2-3-4;3-1-2-4/h10-11H,3-9,13H2,1-2H3,(H,14,16);1-7H2;4-5H,3,7H2,1-2H3,(H,8,9);2-4H2,1H3;4H,1-3H2
InChIKeyAZNVWGYKJLOAKG-UHFFFAOYSA-N
MW624.91 g/mol
LogP-1.18
Rot. Bonds13

About 2-aminoethanol;2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;2-amino-3-methylpentanoic acid;2-morpholin-4-ylethanamine;propan-1-amine

2-aminoethanol;2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;2-amino-3-methylpentanoic acid;2-morpholin-4-ylethanamine;propan-1-amine (PubChem CID 157279934) has the molecular formula C29H68N8O6 and a molecular weight of 624.91 g/mol. Its IUPAC name is 2-aminoethanol;2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;2-amino-3-methylpentanoic acid;2-morpholin-4-ylethanamine;propan-1-amine.

Molecular Properties

Compound Name2-aminoethanol;2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;2-amino-3-methylpentanoic acid;2-morpholin-4-ylethanamine;propan-1-amine
PubChem CID157279934
Molecular FormulaC29H68N8O6
Molecular Weight624.91 g/mol
Exact Mass624.53
IUPAC Name2-aminoethanol;2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;2-amino-3-methylpentanoic acid;2-morpholin-4-ylethanamine;propan-1-amine
SMILESCCC(C)C(N)C(=O)NCCN1CCOCC1.CCC(C)C(N)C(=O)O.CCCN.NCCN1CCOCC1.NCCO
InChIInChI=1S/C12H25N3O2.C6H14N2O.C6H13NO2.C3H9N.C2H7NO/c1-3-10(2)11(13)12(16)14-4-5-15-6-8-17-9-7-15;7-1-2-8-3-5-9-6-4-8;1-3-4(2)5(7)6(8)9;1-2-3-4;3-1-2-4/h10-11H,3-9,13H2,1-2H3,(H,14,16);1-7H2;4-5H,3,7H2,1-2H3,(H,8,9);2-4H2,1H3;4H,1-3H2
InChIKeyAZNVWGYKJLOAKG-UHFFFAOYSA-N
XLogP-1.18
TPSA241.67 Ų
H-Bond Donors8
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms43
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500624.91
LogP ≤ 5-1.18
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1012

Analyze 2-aminoethanol;2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;2-amino-3-methylpentanoic acid;2-morpholin-4-ylethanamine;propan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

Butyl 2-[3-(2-methylpropyl)-2,5-dioxo-1-propyl-1,4,9-triazaspiro[5.5]undecan-9-yl]acetate
CID 21926007
pentan-3-yl (2S)-3-methyl-2-[(5R)-3-methyl-5-[[(2S)-2-(4-methyl-2-oxopiperazin-1-yl)butanoyl]amino]piperidin-1-yl]pentanoate
CID 59967411
3-[(2S)-3-methyl-2-[[(2R)-4-methyl-2-[[(2S)-2-(4-methyl-2-oxopiperazin-1-yl)butanoyl]amino]pentyl]amino]pentanoyl]oxypentanoic acid
CID 59967418
(2S)-4-methyl-2-[[(2S)-2-(methylamino)-5-morpholin-4-ylpentanoyl]amino]pentanoic acid
CID 59979121
(2R)-2-[[3-methyl-5-(2-morpholin-4-ylethylamino)-5-oxopentyl]amino]butanoic acid
CID 70069094
2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide
CID 71150328
(2S)-4-methyl-2-[(2-morpholin-4-ylacetyl)amino]pentanoic acid
CID 90040549
4-Methyl-2-[(2-morpholin-4-ylacetyl)amino]pentanoic acid
CID 90040550
(S)-2-[(S)-3,3-dimethyl-2-(2-morpholin-4-yl-acetylamino)-butyrylamino]-4-methyl-pentanoic acid
CID 117870817
2-[[3,3-Dimethyl-2-[(2-morpholin-4-ylacetyl)amino]butanoyl]amino]-4-methylpentanoic acid
CID 117870818
2-[[4-Methyl-2-[[2-[(2-morpholin-4-ylacetyl)amino]acetyl]amino]pentanoyl]amino]acetic acid
CID 123896160
bis((2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide);oxalic acid
CID 134229716

Frequently Asked Questions

What is the IUPAC name of 2-aminoethanol;2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;2-amino-3-methylpentanoic acid;2-morpholin-4-ylethanamine;propan-1-amine?
The IUPAC name of 2-aminoethanol;2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;2-amino-3-methylpentanoic acid;2-morpholin-4-ylethanamine;propan-1-amine (CID 157279934) is 2-aminoethanol;2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;2-amino-3-methylpentanoic acid;2-morpholin-4-ylethanamine;propan-1-amine.
What is the SMILES notation for 2-aminoethanol;2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;2-amino-3-methylpentanoic acid;2-morpholin-4-ylethanamine;propan-1-amine?
The canonical SMILES for 2-aminoethanol;2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;2-amino-3-methylpentanoic acid;2-morpholin-4-ylethanamine;propan-1-amine is CCC(C)C(N)C(=O)NCCN1CCOCC1.CCC(C)C(N)C(=O)O.CCCN.NCCN1CCOCC1.NCCO.
What is the InChIKey of 2-aminoethanol;2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;2-amino-3-methylpentanoic acid;2-morpholin-4-ylethanamine;propan-1-amine?
The InChIKey is AZNVWGYKJLOAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2.C6H14N2O.C6H13NO2.C3H9N.C2H7NO/c1-3-10(2)11(13)12(16)14-4-5-15-6-8-17-9-7-15;7-1-2-8-3-5-9-6-4-8;1-3-4(2)5(7)6(8)9;1-2-3-4;3-1-2-4/h10-11H,3-9,13H2,1-2H3,(H,14,16);1-7H2;4-5H,3,7H2,1-2H3,(H,8,9);2-4H2,1H3;4H,1-3H2.
What are the key properties of 2-aminoethanol;2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;2-amino-3-methylpentanoic acid;2-morpholin-4-ylethanamine;propan-1-amine?
2-aminoethanol;2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;2-amino-3-methylpentanoic acid;2-morpholin-4-ylethanamine;propan-1-amine has a molecular weight of 624.91 g/mol, XLogP of -1.18, 13 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanol;2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;2-amino-3-methylpentanoic acid;2-morpholin-4-ylethanamine;propan-1-amine is sourced from PubChem (CID 157279934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).