6-methoxy-2,6-dimethyl-N-propylhept-2-en-4-amine

C13H27NO — CID 103028498

IUPAC6-methoxy-2,6-dimethyl-N-propylhept-2-en-4-amine
SMILESCCCNC(C=C(C)C)CC(C)(C)OC
InChIInChI=1S/C13H27NO/c1-7-8-14-12(9-11(2)3)10-13(4,5)15-6/h9,12,14H,7-8,10H2,1-6H3
InChIKeyANTJEDMCNJFYSH-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.14
Rot. Bonds7

About 6-methoxy-2,6-dimethyl-N-propylhept-2-en-4-amine

6-methoxy-2,6-dimethyl-N-propylhept-2-en-4-amine (PubChem CID 103028498) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 6-methoxy-2,6-dimethyl-N-propylhept-2-en-4-amine.

Molecular Properties

Compound Name6-methoxy-2,6-dimethyl-N-propylhept-2-en-4-amine
PubChem CID103028498
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name6-methoxy-2,6-dimethyl-N-propylhept-2-en-4-amine
SMILESCCCNC(C=C(C)C)CC(C)(C)OC
InChIInChI=1S/C13H27NO/c1-7-8-14-12(9-11(2)3)10-13(4,5)15-6/h9,12,14H,7-8,10H2,1-6H3
InChIKeyANTJEDMCNJFYSH-UHFFFAOYSA-N
XLogP3.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-methoxy-2,6-dimethyl-N-propylhept-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-butyl-5-methoxy-1,5-dimethylcyclohex-2-en-1-amine
CID 67926724
N-butyl-7-methoxy-3,7-dimethyloct-2-en-1-amine
CID 173413382
4-methoxy-4-methyl-N-prop-2-enylpentan-2-amine
CID 43146954
N-[2-(cyclohexen-1-yl)ethyl]-4-methoxy-4-methylpentan-2-amine
CID 43147114
N-(cyclohex-3-en-1-ylmethyl)-4-methoxy-4-methylpentan-2-amine
CID 61951110
N-(4-methoxy-4-methylpentan-2-yl)cyclohex-3-en-1-amine
CID 65700674
N-ethyl-7-methoxy-2-methylhept-2-en-4-amine
CID 79177731
7-methoxy-2-methyl-N-propylhept-2-en-4-amine
CID 79177953
1-methoxy-N,5-dimethylhex-4-en-3-amine
CID 79190408
N-ethyl-1-methoxy-5-methylhex-4-en-3-amine
CID 79190520
1-methoxy-5-methyl-N-propylhex-4-en-3-amine
CID 79190626
N-ethyl-6-methoxy-6-methylhept-1-en-4-amine
CID 103024964

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2,6-dimethyl-N-propylhept-2-en-4-amine?
The IUPAC name of 6-methoxy-2,6-dimethyl-N-propylhept-2-en-4-amine (CID 103028498) is 6-methoxy-2,6-dimethyl-N-propylhept-2-en-4-amine.
What is the SMILES notation for 6-methoxy-2,6-dimethyl-N-propylhept-2-en-4-amine?
The canonical SMILES for 6-methoxy-2,6-dimethyl-N-propylhept-2-en-4-amine is CCCNC(C=C(C)C)CC(C)(C)OC.
What is the InChIKey of 6-methoxy-2,6-dimethyl-N-propylhept-2-en-4-amine?
The InChIKey is ANTJEDMCNJFYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-7-8-14-12(9-11(2)3)10-13(4,5)15-6/h9,12,14H,7-8,10H2,1-6H3.
What are the key properties of 6-methoxy-2,6-dimethyl-N-propylhept-2-en-4-amine?
6-methoxy-2,6-dimethyl-N-propylhept-2-en-4-amine has a molecular weight of 213.36 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2,6-dimethyl-N-propylhept-2-en-4-amine is sourced from PubChem (CID 103028498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).