3-amino-N-[2-(5-methylhexylamino)-2-oxoethyl]propanamide;propan-1-amine

C15H34N4O2 — CID 171639588

IUPAC3-amino-N-[2-(5-methylhexylamino)-2-oxoethyl]propanamide;propan-1-amine
SMILESCC(C)CCCCNC(=O)CNC(=O)CCN.CCCN
InChIInChI=1S/C12H25N3O2.C3H9N/c1-10(2)5-3-4-8-14-12(17)9-15-11(16)6-7-13;1-2-3-4/h10H,3-9,13H2,1-2H3,(H,14,17)(H,15,16);2-4H2,1H3
InChIKeySVMAZXIOCFVQGX-UHFFFAOYSA-N
MW302.46 g/mol
LogP0.75
Rot. Bonds10

About 3-amino-N-[2-(5-methylhexylamino)-2-oxoethyl]propanamide;propan-1-amine

3-amino-N-[2-(5-methylhexylamino)-2-oxoethyl]propanamide;propan-1-amine (PubChem CID 171639588) has the molecular formula C15H34N4O2 and a molecular weight of 302.46 g/mol. Its IUPAC name is 3-amino-N-[2-(5-methylhexylamino)-2-oxoethyl]propanamide;propan-1-amine.

Molecular Properties

Compound Name3-amino-N-[2-(5-methylhexylamino)-2-oxoethyl]propanamide;propan-1-amine
PubChem CID171639588
Molecular FormulaC15H34N4O2
Molecular Weight302.46 g/mol
Exact Mass302.27
IUPAC Name3-amino-N-[2-(5-methylhexylamino)-2-oxoethyl]propanamide;propan-1-amine
SMILESCC(C)CCCCNC(=O)CNC(=O)CCN.CCCN
InChIInChI=1S/C12H25N3O2.C3H9N/c1-10(2)5-3-4-8-14-12(17)9-15-11(16)6-7-13;1-2-3-4/h10H,3-9,13H2,1-2H3,(H,14,17)(H,15,16);2-4H2,1H3
InChIKeySVMAZXIOCFVQGX-UHFFFAOYSA-N
XLogP0.75
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 50.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-N-[2-(5-methylhexylamino)-2-oxoethyl]propanamide
CID 176567984
4-methyl-N-(6-methylheptyl)pentanamide
CID 129055781
N-hexyl-6-methylheptanamide
CID 141197249
N-(2-aminoethyl)-7-methyloctanamide
CID 145373236
N-butyl-7-methyloctanamide
CID 154028337
N-decyl-4-methylpentanamide;N-dodecyl-4-methylpentanamide;N-icosyl-4-methylpentanamide;4-methyl-N-nonylpentanamide;4-methyl-N-octadecylpentanamide;4-methyl-N-pentadecylpentanamide;4-methyl-N-tetradecylpentanamide;4-methyl-N-tridecylpentanamide;4-methyl-N-undecylpentanamide
CID 159335850
2-(methylamino)-N-(8-methylnonyl)acetamide
CID 170791103
6-amino-4,4-dimethyl-N-(7-methyloctyl)hexanamide
CID 65292309
4-(2-aminoethyl)-5,5-dimethyl-N-(5-methylhexyl)hexanamide
CID 115325284
2-(5-methylhexylamino)-N-propylacetamide
CID 115325791
4-[[2-(4-methylpentanoylamino)acetyl]amino]butanoic acid
CID 119171039
2-aminoethanethiol;4-methyl-N-(2-sulfanylethyl)pentanamide;propan-1-amine
CID 168896262

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(5-methylhexylamino)-2-oxoethyl]propanamide;propan-1-amine?
The IUPAC name of 3-amino-N-[2-(5-methylhexylamino)-2-oxoethyl]propanamide;propan-1-amine (CID 171639588) is 3-amino-N-[2-(5-methylhexylamino)-2-oxoethyl]propanamide;propan-1-amine.
What is the SMILES notation for 3-amino-N-[2-(5-methylhexylamino)-2-oxoethyl]propanamide;propan-1-amine?
The canonical SMILES for 3-amino-N-[2-(5-methylhexylamino)-2-oxoethyl]propanamide;propan-1-amine is CC(C)CCCCNC(=O)CNC(=O)CCN.CCCN.
What is the InChIKey of 3-amino-N-[2-(5-methylhexylamino)-2-oxoethyl]propanamide;propan-1-amine?
The InChIKey is SVMAZXIOCFVQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2.C3H9N/c1-10(2)5-3-4-8-14-12(17)9-15-11(16)6-7-13;1-2-3-4/h10H,3-9,13H2,1-2H3,(H,14,17)(H,15,16);2-4H2,1H3.
What are the key properties of 3-amino-N-[2-(5-methylhexylamino)-2-oxoethyl]propanamide;propan-1-amine?
3-amino-N-[2-(5-methylhexylamino)-2-oxoethyl]propanamide;propan-1-amine has a molecular weight of 302.46 g/mol, XLogP of 0.75, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(5-methylhexylamino)-2-oxoethyl]propanamide;propan-1-amine is sourced from PubChem (CID 171639588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).