N-(cyclopropylmethyl)-3-methyl-N-propylbutan-1-amine

C12H25N — CID 21355618

IUPACN-(cyclopropylmethyl)-3-methyl-N-propylbutan-1-amine
SMILESCCCN(CCC(C)C)CC1CC1
InChIInChI=1S/C12H25N/c1-4-8-13(9-7-11(2)3)10-12-5-6-12/h11-12H,4-10H2,1-3H3
InChIKeyOJXSXUYZTOIXSR-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.15
Rot. Bonds7

About N-(cyclopropylmethyl)-3-methyl-N-propylbutan-1-amine

N-(cyclopropylmethyl)-3-methyl-N-propylbutan-1-amine (PubChem CID 21355618) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-methyl-N-propylbutan-1-amine
PubChem CID21355618
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC NameN-(cyclopropylmethyl)-3-methyl-N-propylbutan-1-amine
SMILESCCCN(CCC(C)C)CC1CC1
InChIInChI=1S/C12H25N/c1-4-8-13(9-7-11(2)3)10-12-5-6-12/h11-12H,4-10H2,1-3H3
InChIKeyOJXSXUYZTOIXSR-UHFFFAOYSA-N
XLogP3.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-(cyclopropylmethyl)-3-methyl-N-propylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-1-[cyclopropylmethyl(propyl)amino]propan-2-ol
CID 103935017
N-(2-bromoethyl)-N-(cyclopropylmethyl)propan-1-amine
CID 61445615
N-(cyclopropylmethyl)-N-propylbutan-1-amine
CID 89097130
N'-(cyclopropylmethyl)-2-ethyl-N'-propylbutane-1,4-diamine
CID 81079900
N-(cyclopropylmethyl)-N-propylpentan-1-amine
CID 89142496
N-ethyl-3-methyl-N-propylbutan-1-amine
CID 89085287
N-(1-cyclopropylethyl)-N'-(cyclopropylmethyl)-N'-propylethane-1,2-diamine
CID 62555040
ethyl 4-[cyclopropylmethyl(propyl)amino]-2-(methylamino)butanoate
CID 55143357
1-[cyclopropylmethyl(propyl)amino]-3-(propan-2-ylamino)propan-2-ol
CID 61440788
3-[cyclopropylmethyl(propyl)amino]-2-(propan-2-ylamino)propan-1-ol
CID 64826926
N-[(1-ethylpiperidin-4-yl)methyl]-N-propylpropan-1-amine
CID 170705762
N,N'-bis(cyclopropylmethyl)-N'-propylethane-1,2-diamine
CID 61443394

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3-methyl-N-propylbutan-1-amine?
The IUPAC name of N-(cyclopropylmethyl)-3-methyl-N-propylbutan-1-amine (CID 21355618) is N-(cyclopropylmethyl)-3-methyl-N-propylbutan-1-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-3-methyl-N-propylbutan-1-amine?
The canonical SMILES for N-(cyclopropylmethyl)-3-methyl-N-propylbutan-1-amine is CCCN(CCC(C)C)CC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-3-methyl-N-propylbutan-1-amine?
The InChIKey is OJXSXUYZTOIXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-4-8-13(9-7-11(2)3)10-12-5-6-12/h11-12H,4-10H2,1-3H3.
What are the key properties of N-(cyclopropylmethyl)-3-methyl-N-propylbutan-1-amine?
N-(cyclopropylmethyl)-3-methyl-N-propylbutan-1-amine has a molecular weight of 183.34 g/mol, XLogP of 3.15, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 21355618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).