N-(2-aminoethyl)acetamide;1-cyclopropylpropan-1-amine;ethane

C12H29N3O — CID 142425870

IUPACN-(2-aminoethyl)acetamide;1-cyclopropylpropan-1-amine;ethane
SMILESCC.CC(=O)NCCN.CCC(N)C1CC1
InChIInChI=1S/C6H13N.C4H10N2O.C2H6/c1-2-6(7)5-3-4-5;1-4(7)6-3-2-5;1-2/h5-6H,2-4,7H2,1H3;2-3,5H2,1H3,(H,6,7);1-2H3
InChIKeyXBQKSDFVJANDOY-UHFFFAOYSA-N
MW231.38 g/mol
LogP1.24
Rot. Bonds4

About N-(2-aminoethyl)acetamide;1-cyclopropylpropan-1-amine;ethane

N-(2-aminoethyl)acetamide;1-cyclopropylpropan-1-amine;ethane (PubChem CID 142425870) has the molecular formula C12H29N3O and a molecular weight of 231.38 g/mol. Its IUPAC name is N-(2-aminoethyl)acetamide;1-cyclopropylpropan-1-amine;ethane.

Molecular Properties

Compound NameN-(2-aminoethyl)acetamide;1-cyclopropylpropan-1-amine;ethane
PubChem CID142425870
Molecular FormulaC12H29N3O
Molecular Weight231.38 g/mol
Exact Mass231.23
IUPAC NameN-(2-aminoethyl)acetamide;1-cyclopropylpropan-1-amine;ethane
SMILESCC.CC(=O)NCCN.CCC(N)C1CC1
InChIInChI=1S/C6H13N.C4H10N2O.C2H6/c1-2-6(7)5-3-4-5;1-4(7)6-3-2-5;1-2/h5-6H,2-4,7H2,1H3;2-3,5H2,1H3,(H,6,7);1-2H3
InChIKeyXBQKSDFVJANDOY-UHFFFAOYSA-N
XLogP1.24
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)acetamide;ethanamine
CID 142425997
N-[(2S)-2,5-diamino-5-cyclopropylpentyl]acetamide
CID 142485578
4-(1-aminopropyl)cyclohexan-1-ol
CID 116941798
N-(2-aminoethyl)-N'-(1-cyclopropylethyl)oxamide
CID 43533108
N-[2-(2,2-dicyclopropylethylamino)ethyl]acetamide
CID 107529576
N-[3-[4-(2-aminoethylamino)butylamino]propyl]acetamide
CID 59687519
4-(1-aminopropyl)cyclohexan-1-one
CID 116941905
N-(2-acetamidoethyl)-2-amino-3-methylpentanamide
CID 43552884
N-[2-[bis(2-acetamidoethyl)amino]ethyl]acetamide
CID 14382083
tert-butyl N-[(2S)-2-amino-2-cyclopropylethyl]carbamate
CID 67446222
N-(2-aminoethyl)-1-methylpiperidine-4-carboxamide
CID 53215741
N-[2-(1-cyclobutylethylamino)ethyl]acetamide
CID 107530057

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)acetamide;1-cyclopropylpropan-1-amine;ethane?
The IUPAC name of N-(2-aminoethyl)acetamide;1-cyclopropylpropan-1-amine;ethane (CID 142425870) is N-(2-aminoethyl)acetamide;1-cyclopropylpropan-1-amine;ethane.
What is the SMILES notation for N-(2-aminoethyl)acetamide;1-cyclopropylpropan-1-amine;ethane?
The canonical SMILES for N-(2-aminoethyl)acetamide;1-cyclopropylpropan-1-amine;ethane is CC.CC(=O)NCCN.CCC(N)C1CC1.
What is the InChIKey of N-(2-aminoethyl)acetamide;1-cyclopropylpropan-1-amine;ethane?
The InChIKey is XBQKSDFVJANDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.C4H10N2O.C2H6/c1-2-6(7)5-3-4-5;1-4(7)6-3-2-5;1-2/h5-6H,2-4,7H2,1H3;2-3,5H2,1H3,(H,6,7);1-2H3.
What are the key properties of N-(2-aminoethyl)acetamide;1-cyclopropylpropan-1-amine;ethane?
N-(2-aminoethyl)acetamide;1-cyclopropylpropan-1-amine;ethane has a molecular weight of 231.38 g/mol, XLogP of 1.24, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)acetamide;1-cyclopropylpropan-1-amine;ethane is sourced from PubChem (CID 142425870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).