6-methyl-N-propylhept-5-en-2-amine

C11H23N — CID 12541942

IUPAC6-methyl-N-propylhept-5-en-2-amine
SMILESCCCNC(C)CCC=C(C)C
InChIInChI=1S/C11H23N/c1-5-9-12-11(4)8-6-7-10(2)3/h7,11-12H,5-6,8-9H2,1-4H3
InChIKeyUESJCGQUTFTRGJ-UHFFFAOYSA-N
MW169.31 g/mol
LogP3.12
Rot. Bonds6

About 6-methyl-N-propylhept-5-en-2-amine

6-methyl-N-propylhept-5-en-2-amine (PubChem CID 12541942) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 6-methyl-N-propylhept-5-en-2-amine.

Molecular Properties

Compound Name6-methyl-N-propylhept-5-en-2-amine
PubChem CID12541942
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name6-methyl-N-propylhept-5-en-2-amine
SMILESCCCNC(C)CCC=C(C)C
InChIInChI=1S/C11H23N/c1-5-9-12-11(4)8-6-7-10(2)3/h7,11-12H,5-6,8-9H2,1-4H3
InChIKeyUESJCGQUTFTRGJ-UHFFFAOYSA-N
XLogP3.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-methyl-N-propylhept-5-en-2-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

Isometheptene
CID 22297
Isometheptene Hydrochloride
CID 22549
Dexisometheptene
CID 24871315
6-Methylhept-5-en-2-amine, (+-)-
CID 31179
(2S,6S)-2,6-diallyl-4-methyl-1,2,3,6-tetrahydropyridinium
CID 16193239
Cyclopropanamine, N-(4,8,13,17,21-pentamethyl-4,8,12,16,20-docosapentaenyl)-, (all-E)-
CID 6505320
Ethyl-(3,7,11-trimethyl-dodeca-2,6,10-trienyl)-amine
CID 9992270
2,6-Diallyl-4-methyl-1,2,3,6-tetrahydropyridine
CID 2859356
N'-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]butane-1,4-diamine
CID 90126666
N'-(3,7-dimethylocta-2,6-dienyl)propane-1,3-diamine
CID 123140737
N-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopropanamine
CID 141815373
Isometheptene-mucate
CID 6604597

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-propylhept-5-en-2-amine?
The IUPAC name of 6-methyl-N-propylhept-5-en-2-amine (CID 12541942) is 6-methyl-N-propylhept-5-en-2-amine.
What is the SMILES notation for 6-methyl-N-propylhept-5-en-2-amine?
The canonical SMILES for 6-methyl-N-propylhept-5-en-2-amine is CCCNC(C)CCC=C(C)C.
What is the InChIKey of 6-methyl-N-propylhept-5-en-2-amine?
The InChIKey is UESJCGQUTFTRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-5-9-12-11(4)8-6-7-10(2)3/h7,11-12H,5-6,8-9H2,1-4H3.
What are the key properties of 6-methyl-N-propylhept-5-en-2-amine?
6-methyl-N-propylhept-5-en-2-amine has a molecular weight of 169.31 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-propylhept-5-en-2-amine is sourced from PubChem (CID 12541942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).