2-(aminomethyl)-2-ethyl-N-[(1-ethylcyclopropyl)methyl]butanamide

C13H26N2O — CID 103840339

IUPAC2-(aminomethyl)-2-ethyl-N-[(1-ethylcyclopropyl)methyl]butanamide
SMILESCCC1(CNC(=O)C(CC)(CC)CN)CC1
InChIInChI=1S/C13H26N2O/c1-4-12(7-8-12)10-15-11(16)13(5-2,6-3)9-14/h4-10,14H2,1-3H3,(H,15,16)
InChIKeyLRLXFOKOBGHHTO-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.06
Rot. Bonds7

About 2-(aminomethyl)-2-ethyl-N-[(1-ethylcyclopropyl)methyl]butanamide

2-(aminomethyl)-2-ethyl-N-[(1-ethylcyclopropyl)methyl]butanamide (PubChem CID 103840339) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-(aminomethyl)-2-ethyl-N-[(1-ethylcyclopropyl)methyl]butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-2-ethyl-N-[(1-ethylcyclopropyl)methyl]butanamide
PubChem CID103840339
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-(aminomethyl)-2-ethyl-N-[(1-ethylcyclopropyl)methyl]butanamide
SMILESCCC1(CNC(=O)C(CC)(CC)CN)CC1
InChIInChI=1S/C13H26N2O/c1-4-12(7-8-12)10-15-11(16)13(5-2,6-3)9-14/h4-10,14H2,1-3H3,(H,15,16)
InChIKeyLRLXFOKOBGHHTO-UHFFFAOYSA-N
XLogP2.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-2-ethyl-N-[[1-(hydroxymethyl)cyclopentyl]methyl]butanamide
CID 113309032
N-[(1-ethylcyclopentyl)methyl]-2,2,2-trifluoroacetamide
CID 103766554
2-(aminomethyl)-2-ethyl-N-(1-methylcyclopentyl)butanamide
CID 64688429
3-amino-N-[(1-ethylcyclopropyl)methyl]propanamide
CID 103796646
N-[(1-ethylcyclobutyl)methyl]-2-hydroxy-2-methylpropanamide
CID 106509811
2-carbamothioyl-N-[(1-ethylcyclopentyl)methyl]-2-methylbutanamide
CID 114125492
2-amino-N-[(1-ethylcyclopentyl)methyl]acetamide
CID 103797853
2-(aminomethyl)-2-ethyl-N-[4-(hydroxymethyl)oxan-4-yl]butanamide
CID 114170262
2-(aminomethyl)-N-(cyanomethyl)-2-ethylbutanamide
CID 115432428
3-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2,2-dimethylpropanamide
CID 112701928
1-amino-N-[(1-ethylcyclopropyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119322718
N-[[1-(2-bromoethyl)cyclopropyl]methyl]-2,2-dimethylbutanamide
CID 114758463

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-ethyl-N-[(1-ethylcyclopropyl)methyl]butanamide?
The IUPAC name of 2-(aminomethyl)-2-ethyl-N-[(1-ethylcyclopropyl)methyl]butanamide (CID 103840339) is 2-(aminomethyl)-2-ethyl-N-[(1-ethylcyclopropyl)methyl]butanamide.
What is the SMILES notation for 2-(aminomethyl)-2-ethyl-N-[(1-ethylcyclopropyl)methyl]butanamide?
The canonical SMILES for 2-(aminomethyl)-2-ethyl-N-[(1-ethylcyclopropyl)methyl]butanamide is CCC1(CNC(=O)C(CC)(CC)CN)CC1.
What is the InChIKey of 2-(aminomethyl)-2-ethyl-N-[(1-ethylcyclopropyl)methyl]butanamide?
The InChIKey is LRLXFOKOBGHHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-12(7-8-12)10-15-11(16)13(5-2,6-3)9-14/h4-10,14H2,1-3H3,(H,15,16).
What are the key properties of 2-(aminomethyl)-2-ethyl-N-[(1-ethylcyclopropyl)methyl]butanamide?
2-(aminomethyl)-2-ethyl-N-[(1-ethylcyclopropyl)methyl]butanamide has a molecular weight of 226.36 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-ethyl-N-[(1-ethylcyclopropyl)methyl]butanamide is sourced from PubChem (CID 103840339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).