3-methyl-2-propylhexan-1-amine

C10H23N — CID 89026240

IUPAC3-methyl-2-propylhexan-1-amine
SMILESCCCC(C)C(CN)CCC
InChIInChI=1S/C10H23N/c1-4-6-9(3)10(8-11)7-5-2/h9-10H,4-8,11H2,1-3H3
InChIKeyPVQBVZDHPKTTLX-UHFFFAOYSA-N
MW157.30 g/mol
LogP2.80
Rot. Bonds6

About 3-methyl-2-propylhexan-1-amine

3-methyl-2-propylhexan-1-amine (PubChem CID 89026240) has the molecular formula C10H23N and a molecular weight of 157.30 g/mol. Its IUPAC name is 3-methyl-2-propylhexan-1-amine.

Molecular Properties

Compound Name3-methyl-2-propylhexan-1-amine
PubChem CID89026240
Molecular FormulaC10H23N
Molecular Weight157.30 g/mol
Exact Mass157.18
IUPAC Name3-methyl-2-propylhexan-1-amine
SMILESCCCC(C)C(CN)CCC
InChIInChI=1S/C10H23N/c1-4-6-9(3)10(8-11)7-5-2/h9-10H,4-8,11H2,1-3H3
InChIKeyPVQBVZDHPKTTLX-UHFFFAOYSA-N
XLogP2.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.30
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-methyl-2-propylhexan-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

4-(aminomethyl)-6-methylnonan-5-ol
CID 79412297
ethane;2-propan-2-ylpentan-1-amine
CID 153346460
2-(1-iodoethyl)pentan-1-amine
CID 86037084
3-ethyl-2-methylhexan-1-amine
CID 91121737
4-ethyl-3-methylheptan-1-amine
CID 143231179
2,5-dimethyl-4-propyloctane
CID 57491236
5-(aminomethyl)-2,3-dimethyloctan-4-ol
CID 79411447
(2S)-3-(aminomethyl)-2-methylhexanoic acid
CID 54232273
4,5-diethyloctane
CID 519254
3-methyl-2-N-propan-2-ylhexane-1,2-diamine
CID 62071023
3-methyl-N,2-dipropylhexan-1-amine
CID 107897121
1-amino-4,5-dimethyloctan-1-ol
CID 88903955

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-propylhexan-1-amine?
The IUPAC name of 3-methyl-2-propylhexan-1-amine (CID 89026240) is 3-methyl-2-propylhexan-1-amine.
What is the SMILES notation for 3-methyl-2-propylhexan-1-amine?
The canonical SMILES for 3-methyl-2-propylhexan-1-amine is CCCC(C)C(CN)CCC.
What is the InChIKey of 3-methyl-2-propylhexan-1-amine?
The InChIKey is PVQBVZDHPKTTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N/c1-4-6-9(3)10(8-11)7-5-2/h9-10H,4-8,11H2,1-3H3.
What are the key properties of 3-methyl-2-propylhexan-1-amine?
3-methyl-2-propylhexan-1-amine has a molecular weight of 157.30 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-propylhexan-1-amine is sourced from PubChem (CID 89026240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).