4,5-dimethyl-N-propylheptan-2-amine

C12H27N — CID 79443938

IUPAC4,5-dimethyl-N-propylheptan-2-amine
SMILESCCCNC(C)CC(C)C(C)CC
InChIInChI=1S/C12H27N/c1-6-8-13-12(5)9-11(4)10(3)7-2/h10-13H,6-9H2,1-5H3
InChIKeyHFZGGUCWZMYWRD-UHFFFAOYSA-N
MW185.35 g/mol
LogP3.45
Rot. Bonds7

About 4,5-dimethyl-N-propylheptan-2-amine

4,5-dimethyl-N-propylheptan-2-amine (PubChem CID 79443938) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is 4,5-dimethyl-N-propylheptan-2-amine.

Molecular Properties

Compound Name4,5-dimethyl-N-propylheptan-2-amine
PubChem CID79443938
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC Name4,5-dimethyl-N-propylheptan-2-amine
SMILESCCCNC(C)CC(C)C(C)CC
InChIInChI=1S/C12H27N/c1-6-8-13-12(5)9-11(4)10(3)7-2/h10-13H,6-9H2,1-5H3
InChIKeyHFZGGUCWZMYWRD-UHFFFAOYSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.35
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4,5-dimethyl-N-propylheptan-2-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

4,6-dimethyl-N-propyloctan-2-amine
CID 64720545
5-methoxy-4-methyl-N-propylpentan-2-amine
CID 79569722
(2H)iodane;N-propylbutan-2-amine
CID 160782338
4,5,5-trimethyl-N-propylhexan-2-amine
CID 64718550
4-butan-2-ylsulfinyl-N-propylpentan-2-amine
CID 64704206
1-N-butan-2-yl-2-N-propylpropane-1,2-diamine
CID 62568833
(2S,3S)-3-methyl-2-(propylamino)pentanoic acid
CID 140981705
3,6-dimethyl-N-propyloctan-4-amine
CID 63716674
4-cyclopropyl-N-propylpentan-2-amine
CID 64721662
4-(3,5-dimethylphenoxy)-N-propylpentan-2-amine
CID 64708090
4-N-ethyl-4-N-(2-ethylbutyl)-2-N-propylpentane-2,4-diamine
CID 64705964
4-N,4-N-dibutyl-2-N-propylpentane-2,4-diamine
CID 64708204

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-propylheptan-2-amine?
The IUPAC name of 4,5-dimethyl-N-propylheptan-2-amine (CID 79443938) is 4,5-dimethyl-N-propylheptan-2-amine.
What is the SMILES notation for 4,5-dimethyl-N-propylheptan-2-amine?
The canonical SMILES for 4,5-dimethyl-N-propylheptan-2-amine is CCCNC(C)CC(C)C(C)CC.
What is the InChIKey of 4,5-dimethyl-N-propylheptan-2-amine?
The InChIKey is HFZGGUCWZMYWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N/c1-6-8-13-12(5)9-11(4)10(3)7-2/h10-13H,6-9H2,1-5H3.
What are the key properties of 4,5-dimethyl-N-propylheptan-2-amine?
4,5-dimethyl-N-propylheptan-2-amine has a molecular weight of 185.35 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-propylheptan-2-amine is sourced from PubChem (CID 79443938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).