3,3-dipropylhexan-2-amine

C12H27N — CID 126618281

IUPAC3,3-dipropylhexan-2-amine
SMILESCCCC(CCC)(CCC)C(C)N
InChIInChI=1S/C12H27N/c1-5-8-12(9-6-2,10-7-3)11(4)13/h11H,5-10,13H2,1-4H3
InChIKeyVVGYPTGDTWEFOE-UHFFFAOYSA-N
MW185.36 g/mol
LogP3.72
Rot. Bonds7

About 3,3-dipropylhexan-2-amine

3,3-dipropylhexan-2-amine (PubChem CID 126618281) has the molecular formula C12H27N and a molecular weight of 185.36 g/mol. Its IUPAC name is 3,3-dipropylhexan-2-amine.

Molecular Properties

Compound Name3,3-dipropylhexan-2-amine
PubChem CID126618281
Molecular FormulaC12H27N
Molecular Weight185.36 g/mol
Exact Mass185.21
IUPAC Name3,3-dipropylhexan-2-amine
SMILESCCCC(CCC)(CCC)C(C)N
InChIInChI=1S/C12H27N/c1-5-8-12(9-6-2,10-7-3)11(4)13/h11H,5-10,13H2,1-4H3
InChIKeyVVGYPTGDTWEFOE-UHFFFAOYSA-N
XLogP3.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.36
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3,3-dipropylhexan-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

4,4-diethyl-3-methylheptane
CID 53425832
4-amino-3,3-dipropylhexan-1-ol
CID 66090314
3,5,5-trimethyloctan-2-amine
CID 123362443
3,3-dimethylhexane-1,1-diamine
CID 88633791
(Z)-5,5-dimethyloct-3-en-2-amine
CID 167079853
(2S)-2-aminopropanamide;2,2-dimethylpentane
CID 175210028
2-aminodecane-3,3-diol
CID 146523867
3-ethyl-3-hexadecylnonadecan-2-amine;methyl hydrogen sulfate
CID 173344410
3-aminohexane-2,3-diol
CID 87595978
4-fluoro-2,3,4-trimethyl-3-propan-2-ylheptane
CID 167184895
(5R)-5,6,6-trimethylnonan-3-amine
CID 88967140
3-methyl-3-propylhexan-2-ol
CID 20501676

Frequently Asked Questions

What is the IUPAC name of 3,3-dipropylhexan-2-amine?
The IUPAC name of 3,3-dipropylhexan-2-amine (CID 126618281) is 3,3-dipropylhexan-2-amine.
What is the SMILES notation for 3,3-dipropylhexan-2-amine?
The canonical SMILES for 3,3-dipropylhexan-2-amine is CCCC(CCC)(CCC)C(C)N.
What is the InChIKey of 3,3-dipropylhexan-2-amine?
The InChIKey is VVGYPTGDTWEFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N/c1-5-8-12(9-6-2,10-7-3)11(4)13/h11H,5-10,13H2,1-4H3.
What are the key properties of 3,3-dipropylhexan-2-amine?
3,3-dipropylhexan-2-amine has a molecular weight of 185.36 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dipropylhexan-2-amine is sourced from PubChem (CID 126618281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).