3-amino-N-(cyclopropylmethyl)-N-ethylbutanamide

C10H20N2O — CID 63954762

IUPAC3-amino-N-(cyclopropylmethyl)-N-ethylbutanamide
SMILESCCN(CC1CC1)C(=O)CC(C)N
InChIInChI=1S/C10H20N2O/c1-3-12(7-9-4-5-9)10(13)6-8(2)11/h8-9H,3-7,11H2,1-2H3
InChIKeyWCSBQEBBKJKYNO-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.98
Rot. Bonds5

About 3-amino-N-(cyclopropylmethyl)-N-ethylbutanamide

3-amino-N-(cyclopropylmethyl)-N-ethylbutanamide (PubChem CID 63954762) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-amino-N-(cyclopropylmethyl)-N-ethylbutanamide.

Molecular Properties

Compound Name3-amino-N-(cyclopropylmethyl)-N-ethylbutanamide
PubChem CID63954762
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name3-amino-N-(cyclopropylmethyl)-N-ethylbutanamide
SMILESCCN(CC1CC1)C(=O)CC(C)N
InChIInChI=1S/C10H20N2O/c1-3-12(7-9-4-5-9)10(13)6-8(2)11/h8-9H,3-7,11H2,1-2H3
InChIKeyWCSBQEBBKJKYNO-UHFFFAOYSA-N
XLogP0.98
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[cyclopropylmethyl(ethyl)amino]-3-methyl-5-oxopentanoic acid
CID 63955131
3-amino-N-(cyclobutylmethyl)-3-cyclopropyl-N-ethylpropanamide
CID 107398403
5-[cyclobutylmethyl(ethyl)amino]-3-methyl-5-oxopentanoic acid
CID 107397516
2-amino-N-(cyclopropylmethyl)-N-ethyl-4-methylpentanamide
CID 63954154
1,1-bis(cyclopropylmethyl)-3,3-diethylurea
CID 115629557
N-(cyclopropylmethyl)-N-ethyl-2-(methylamino)acetamide
CID 63954155
3-amino-N-(cyclohexylmethyl)-N-methylbutanamide
CID 60963947
2-amino-N-(cyclopropylmethyl)-N-ethyl-2-(4-methylphenyl)acetamide;hydrochloride
CID 120668472
N-ethyl-3-methyl-N-(oxolan-3-ylmethyl)butanamide
CID 51082548
N-ethyl-3-methyl-N-[[(3S)-oxolan-3-yl]methyl]butanamide
CID 94186751
3-amino-N,N-dipropylbutanamide
CID 60836307
(2R)-2-amino-N,N-bis(cyclopropylmethyl)-3-methylbutanamide
CID 79012331

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(cyclopropylmethyl)-N-ethylbutanamide?
The IUPAC name of 3-amino-N-(cyclopropylmethyl)-N-ethylbutanamide (CID 63954762) is 3-amino-N-(cyclopropylmethyl)-N-ethylbutanamide.
What is the SMILES notation for 3-amino-N-(cyclopropylmethyl)-N-ethylbutanamide?
The canonical SMILES for 3-amino-N-(cyclopropylmethyl)-N-ethylbutanamide is CCN(CC1CC1)C(=O)CC(C)N.
What is the InChIKey of 3-amino-N-(cyclopropylmethyl)-N-ethylbutanamide?
The InChIKey is WCSBQEBBKJKYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-3-12(7-9-4-5-9)10(13)6-8(2)11/h8-9H,3-7,11H2,1-2H3.
What are the key properties of 3-amino-N-(cyclopropylmethyl)-N-ethylbutanamide?
3-amino-N-(cyclopropylmethyl)-N-ethylbutanamide has a molecular weight of 184.28 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(cyclopropylmethyl)-N-ethylbutanamide is sourced from PubChem (CID 63954762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).