2-methyl-5-propyloct-2-en-4-amine

C12H25N — CID 105004866

IUPAC2-methyl-5-propyloct-2-en-4-amine
SMILESCCCC(CCC)C(N)C=C(C)C
InChIInChI=1S/C12H25N/c1-5-7-11(8-6-2)12(13)9-10(3)4/h9,11-12H,5-8,13H2,1-4H3
InChIKeyPBTHNZFALVJXFP-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.50
Rot. Bonds6

About 2-methyl-5-propyloct-2-en-4-amine

2-methyl-5-propyloct-2-en-4-amine (PubChem CID 105004866) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 2-methyl-5-propyloct-2-en-4-amine.

Molecular Properties

Compound Name2-methyl-5-propyloct-2-en-4-amine
PubChem CID105004866
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name2-methyl-5-propyloct-2-en-4-amine
SMILESCCCC(CCC)C(N)C=C(C)C
InChIInChI=1S/C12H25N/c1-5-7-11(8-6-2)12(13)9-10(3)4/h9,11-12H,5-8,13H2,1-4H3
InChIKeyPBTHNZFALVJXFP-UHFFFAOYSA-N
XLogP3.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-methyl-5-propyloct-2-en-4-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

N-ethyl-2-methyl-5-propyloct-2-en-4-amine
CID 105004865
2-[(1R)-1-aminoethyl]pentan-1-ol
CID 163501333
2-methyldec-2-en-4-amine
CID 59335300
(2S)-2-amino-3-propylhexan-1-ol
CID 154703433
4,5-diethyloctane
CID 519254
5-methyl-1-propoxyhex-4-en-3-amine
CID 105163317
3,6-dimethyl-4-propylhept-6-en-2-amine
CID 134183824
azane;heptan-4-amine
CID 118430725
2,4-dimethyldec-2-ene
CID 522542
(3S)-3-aminohexan-1-ol;sulfane;hydrochloride
CID 161031770
(2S,3R)-2-amino-3-propylbutane-1,4-diol
CID 10820698
(4R)-2,4-dimethylhex-2-ene
CID 142611901

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-propyloct-2-en-4-amine?
The IUPAC name of 2-methyl-5-propyloct-2-en-4-amine (CID 105004866) is 2-methyl-5-propyloct-2-en-4-amine.
What is the SMILES notation for 2-methyl-5-propyloct-2-en-4-amine?
The canonical SMILES for 2-methyl-5-propyloct-2-en-4-amine is CCCC(CCC)C(N)C=C(C)C.
What is the InChIKey of 2-methyl-5-propyloct-2-en-4-amine?
The InChIKey is PBTHNZFALVJXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-5-7-11(8-6-2)12(13)9-10(3)4/h9,11-12H,5-8,13H2,1-4H3.
What are the key properties of 2-methyl-5-propyloct-2-en-4-amine?
2-methyl-5-propyloct-2-en-4-amine has a molecular weight of 183.34 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-propyloct-2-en-4-amine is sourced from PubChem (CID 105004866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).