3-ethyl-N,4-dimethyl-N-propylpentan-1-amine

C12H27N — CID 155439890

IUPAC3-ethyl-N,4-dimethyl-N-propylpentan-1-amine
SMILESCCCN(C)CCC(CC)C(C)C
InChIInChI=1S/C12H27N/c1-6-9-13(5)10-8-12(7-2)11(3)4/h11-12H,6-10H2,1-5H3
InChIKeyYHBSIBWZXLZNDT-UHFFFAOYSA-N
MW185.35 g/mol
LogP3.40
Rot. Bonds7

About 3-ethyl-N,4-dimethyl-N-propylpentan-1-amine

3-ethyl-N,4-dimethyl-N-propylpentan-1-amine (PubChem CID 155439890) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is 3-ethyl-N,4-dimethyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name3-ethyl-N,4-dimethyl-N-propylpentan-1-amine
PubChem CID155439890
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC Name3-ethyl-N,4-dimethyl-N-propylpentan-1-amine
SMILESCCCN(C)CCC(CC)C(C)C
InChIInChI=1S/C12H27N/c1-6-9-13(5)10-8-12(7-2)11(3)4/h11-12H,6-10H2,1-5H3
InChIKeyYHBSIBWZXLZNDT-UHFFFAOYSA-N
XLogP3.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.35
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-ethyl-N,4-dimethyl-N-propylpentan-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

(3S)-N,3-dimethyl-N-propylpentan-1-amine
CID 144585217
N,3-dimethyl-N-propylbutan-1-amine;ethane
CID 143004983
methane;2-methylbutane;N-methyl-N-propylpropan-1-amine
CID 143703435
(3R)-3-ethyl-2-methylhexane
CID 59954424
N,N'-dimethyl-N'-[2-[methyl(3-methylhexyl)amino]ethyl]-N-propylethane-1,2-diamine
CID 167171519
4-ethyl-N,N,5-trimethylhexan-1-amine
CID 91536277
N-butan-2-yl-4-ethyl-5-methyl-N-propylhexan-1-amine
CID 174327500
N,N'-dimethyl-N'-[2-[methyl(propyl)amino]ethyl]-N-propylethane-1,2-diamine
CID 162082787
ethane;(3R)-3-ethyl-2-methylheptane
CID 166461427
N,7-dimethyl-N-propylnonan-1-amine
CID 174179101
6-ethyl-N,3,7-trimethyl-N-propan-2-yloctan-1-amine
CID 174299611
3-N-ethyl-1-N,4,4-trimethyl-1-N-propylpentane-1,3-diamine
CID 62624784

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N,4-dimethyl-N-propylpentan-1-amine?
The IUPAC name of 3-ethyl-N,4-dimethyl-N-propylpentan-1-amine (CID 155439890) is 3-ethyl-N,4-dimethyl-N-propylpentan-1-amine.
What is the SMILES notation for 3-ethyl-N,4-dimethyl-N-propylpentan-1-amine?
The canonical SMILES for 3-ethyl-N,4-dimethyl-N-propylpentan-1-amine is CCCN(C)CCC(CC)C(C)C.
What is the InChIKey of 3-ethyl-N,4-dimethyl-N-propylpentan-1-amine?
The InChIKey is YHBSIBWZXLZNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N/c1-6-9-13(5)10-8-12(7-2)11(3)4/h11-12H,6-10H2,1-5H3.
What are the key properties of 3-ethyl-N,4-dimethyl-N-propylpentan-1-amine?
3-ethyl-N,4-dimethyl-N-propylpentan-1-amine has a molecular weight of 185.35 g/mol, XLogP of 3.40, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N,4-dimethyl-N-propylpentan-1-amine is sourced from PubChem (CID 155439890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).