2,3,5-trimethyl-N-propylhex-5-en-1-amine

C12H25N — CID 81016031

IUPAC2,3,5-trimethyl-N-propylhex-5-en-1-amine
SMILESC=C(C)CC(C)C(C)CNCCC
InChIInChI=1S/C12H25N/c1-6-7-13-9-12(5)11(4)8-10(2)3/h11-13H,2,6-9H2,1,3-5H3
InChIKeySWGJCHGYKRFMBN-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.22
Rot. Bonds7

About 2,3,5-trimethyl-N-propylhex-5-en-1-amine

2,3,5-trimethyl-N-propylhex-5-en-1-amine (PubChem CID 81016031) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 2,3,5-trimethyl-N-propylhex-5-en-1-amine.

Molecular Properties

Compound Name2,3,5-trimethyl-N-propylhex-5-en-1-amine
PubChem CID81016031
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name2,3,5-trimethyl-N-propylhex-5-en-1-amine
SMILESC=C(C)CC(C)C(C)CNCCC
InChIInChI=1S/C12H25N/c1-6-7-13-9-12(5)11(4)8-10(2)3/h11-13H,2,6-9H2,1,3-5H3
InChIKeySWGJCHGYKRFMBN-UHFFFAOYSA-N
XLogP3.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,3,5-trimethyl-N-propylhex-5-en-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

(3,7-Dimethyloct-6-en-1-yl)(methyl)amine
CID 22251448
[(2,6-Dimethylcyclohex-2-en-1-yl)methyl](methyl)amine
CID 130645649
N'-(4-ethyl-5-fluoro-2-methylidenehexyl)pentane-1,5-diamine
CID 137469562
(3S)-3-(fluoromethyl)-5-prop-1-en-2-ylpiperidine
CID 155399388
3-fluoro-N,2,3,4-tetramethylpent-4-en-1-amine
CID 163835903
5-fluoro-4-[(2R)-1-fluoropropan-2-yl]-3-methylidene-N-propyloct-5-en-1-amine
CID 174001569
(3S,4R)-3-ethenyl-2-fluoro-N,4,5-trimethylhexan-1-amine
CID 174091403
3-ethenyl-2,2-dimethyl-N-(2-methylpropyl)hexan-1-amine
CID 10081888
N-but-3-enyl-2-methylhex-5-en-1-amine
CID 11367216
N-but-3-enyl-3-methylhex-5-en-1-amine
CID 11480662
N-(3,7-Dimethyloct-6-en-1-yl)-3,7-dimethyloct-6-en-1-amine
CID 13945557
2,5-dimethyl-N-propylhex-5-en-3-amine
CID 79179359

Frequently Asked Questions

What is the IUPAC name of 2,3,5-trimethyl-N-propylhex-5-en-1-amine?
The IUPAC name of 2,3,5-trimethyl-N-propylhex-5-en-1-amine (CID 81016031) is 2,3,5-trimethyl-N-propylhex-5-en-1-amine.
What is the SMILES notation for 2,3,5-trimethyl-N-propylhex-5-en-1-amine?
The canonical SMILES for 2,3,5-trimethyl-N-propylhex-5-en-1-amine is C=C(C)CC(C)C(C)CNCCC.
What is the InChIKey of 2,3,5-trimethyl-N-propylhex-5-en-1-amine?
The InChIKey is SWGJCHGYKRFMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-6-7-13-9-12(5)11(4)8-10(2)3/h11-13H,2,6-9H2,1,3-5H3.
What are the key properties of 2,3,5-trimethyl-N-propylhex-5-en-1-amine?
2,3,5-trimethyl-N-propylhex-5-en-1-amine has a molecular weight of 183.34 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trimethyl-N-propylhex-5-en-1-amine is sourced from PubChem (CID 81016031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).