N,2,5-trimethylhex-5-en-3-amine

C9H19N — CID 79179141

IUPACN,2,5-trimethylhex-5-en-3-amine
SMILESC=C(C)CC(NC)C(C)C
InChIInChI=1S/C9H19N/c1-7(2)6-9(10-5)8(3)4/h8-10H,1,6H2,2-5H3
InChIKeyLVOWGKFGSKBNFF-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.20
Rot. Bonds4

About N,2,5-trimethylhex-5-en-3-amine

N,2,5-trimethylhex-5-en-3-amine (PubChem CID 79179141) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is N,2,5-trimethylhex-5-en-3-amine.

Molecular Properties

Compound NameN,2,5-trimethylhex-5-en-3-amine
PubChem CID79179141
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC NameN,2,5-trimethylhex-5-en-3-amine
SMILESC=C(C)CC(NC)C(C)C
InChIInChI=1S/C9H19N/c1-7(2)6-9(10-5)8(3)4/h8-10H,1,6H2,2-5H3
InChIKeyLVOWGKFGSKBNFF-UHFFFAOYSA-N
XLogP2.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N,2,5-trimethylhex-5-en-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,2,5-trimethylhex-5-en-3-amine?
The IUPAC name of N,2,5-trimethylhex-5-en-3-amine (CID 79179141) is N,2,5-trimethylhex-5-en-3-amine.
What is the SMILES notation for N,2,5-trimethylhex-5-en-3-amine?
The canonical SMILES for N,2,5-trimethylhex-5-en-3-amine is C=C(C)CC(NC)C(C)C.
What is the InChIKey of N,2,5-trimethylhex-5-en-3-amine?
The InChIKey is LVOWGKFGSKBNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-7(2)6-9(10-5)8(3)4/h8-10H,1,6H2,2-5H3.
What are the key properties of N,2,5-trimethylhex-5-en-3-amine?
N,2,5-trimethylhex-5-en-3-amine has a molecular weight of 141.26 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,5-trimethylhex-5-en-3-amine is sourced from PubChem (CID 79179141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).