3-amino-N-[(1-ethylcyclopropyl)methyl]propanamide

C9H18N2O — CID 103796646

IUPAC3-amino-N-[(1-ethylcyclopropyl)methyl]propanamide
SMILESCCC1(CNC(=O)CCN)CC1
InChIInChI=1S/C9H18N2O/c1-2-9(4-5-9)7-11-8(12)3-6-10/h2-7,10H2,1H3,(H,11,12)
InChIKeyCKQPYKBYTNYVSE-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.64
Rot. Bonds5

About 3-amino-N-[(1-ethylcyclopropyl)methyl]propanamide

3-amino-N-[(1-ethylcyclopropyl)methyl]propanamide (PubChem CID 103796646) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 3-amino-N-[(1-ethylcyclopropyl)methyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[(1-ethylcyclopropyl)methyl]propanamide
PubChem CID103796646
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name3-amino-N-[(1-ethylcyclopropyl)methyl]propanamide
SMILESCCC1(CNC(=O)CCN)CC1
InChIInChI=1S/C9H18N2O/c1-2-9(4-5-9)7-11-8(12)3-6-10/h2-7,10H2,1H3,(H,11,12)
InChIKeyCKQPYKBYTNYVSE-UHFFFAOYSA-N
XLogP0.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[(1-ethylcyclopentyl)methyl]acetamide
CID 103797853
3-amino-N-[[1-(2-methylpropyl)cyclobutyl]methyl]propanamide
CID 119326669
4-amino-N-[(1-ethylcyclobutyl)methyl]pentanamide
CID 106813317
2-[1-[(3-aminopropanoylamino)methyl]cyclobutyl]acetic acid
CID 81161274
6-[(1-ethylcyclopentyl)methylamino]-6-oxohexanoic acid
CID 114124800
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-4-ethoxybutanamide
CID 114758885
2-(aminomethyl)-2-ethyl-N-[(1-ethylcyclopropyl)methyl]butanamide
CID 103840339
6-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]hexanamide
CID 114756702
N-[[1-(aminomethyl)cyclopentyl]methyl]heptanamide
CID 114754126
N-[(1-ethylcyclobutyl)methyl]-4-(methylamino)butanamide;hydrochloride
CID 119782138
6-amino-4-ethyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]hexanamide
CID 113313291
N-[[1-(chloromethyl)cyclopropyl]methyl]butanamide
CID 115456097

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1-ethylcyclopropyl)methyl]propanamide?
The IUPAC name of 3-amino-N-[(1-ethylcyclopropyl)methyl]propanamide (CID 103796646) is 3-amino-N-[(1-ethylcyclopropyl)methyl]propanamide.
What is the SMILES notation for 3-amino-N-[(1-ethylcyclopropyl)methyl]propanamide?
The canonical SMILES for 3-amino-N-[(1-ethylcyclopropyl)methyl]propanamide is CCC1(CNC(=O)CCN)CC1.
What is the InChIKey of 3-amino-N-[(1-ethylcyclopropyl)methyl]propanamide?
The InChIKey is CKQPYKBYTNYVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-2-9(4-5-9)7-11-8(12)3-6-10/h2-7,10H2,1H3,(H,11,12).
What are the key properties of 3-amino-N-[(1-ethylcyclopropyl)methyl]propanamide?
3-amino-N-[(1-ethylcyclopropyl)methyl]propanamide has a molecular weight of 170.26 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(1-ethylcyclopropyl)methyl]propanamide is sourced from PubChem (CID 103796646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).