6-methyl-N-propan-2-ylnon-3-en-1-amine

C13H27N — CID 79592090

IUPAC6-methyl-N-propan-2-ylnon-3-en-1-amine
SMILESCCCC(C)CC=CCCNC(C)C
InChIInChI=1S/C13H27N/c1-5-9-13(4)10-7-6-8-11-14-12(2)3/h6-7,12-14H,5,8-11H2,1-4H3
InChIKeyMKVCAEZUXZSVCY-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.76
Rot. Bonds8

About 6-methyl-N-propan-2-ylnon-3-en-1-amine

6-methyl-N-propan-2-ylnon-3-en-1-amine (PubChem CID 79592090) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 6-methyl-N-propan-2-ylnon-3-en-1-amine.

Molecular Properties

Compound Name6-methyl-N-propan-2-ylnon-3-en-1-amine
PubChem CID79592090
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name6-methyl-N-propan-2-ylnon-3-en-1-amine
SMILESCCCC(C)CC=CCCNC(C)C
InChIInChI=1S/C13H27N/c1-5-9-13(4)10-7-6-8-11-14-12(2)3/h6-7,12-14H,5,8-11H2,1-4H3
InChIKeyMKVCAEZUXZSVCY-UHFFFAOYSA-N
XLogP3.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.76
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 6-methyl-N-propan-2-ylnon-3-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

N-propan-2-yldodec-3-en-1-amine
CID 79592983
(E)-5-methyl-N-propan-2-ylhept-3-en-1-amine
CID 79592541
3,5-dimethyl-N-propan-2-yloctan-1-amine
CID 81018582
(E)-4,9-dimethyltetradec-6-ene
CID 173273385
8-methyltridec-5-ene
CID 123857568
(E)-1-methoxy-5-methyloct-2-ene
CID 88527426
3,4,10-trimethyltridec-7-enylcyclobutane
CID 91310589
(2S)-2-methyl-N-propan-2-ylpentan-1-amine
CID 28610224
(E)-10-methyloctadec-7-ene
CID 173194246
(E)-5-methyltetradec-7-ene
CID 173194503
(E)-7-methoxy-5-methyl-N-propan-2-ylhept-3-en-1-amine
CID 116500388
9,16-dimethyltetracos-11-ene
CID 123705440

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-propan-2-ylnon-3-en-1-amine?
The IUPAC name of 6-methyl-N-propan-2-ylnon-3-en-1-amine (CID 79592090) is 6-methyl-N-propan-2-ylnon-3-en-1-amine.
What is the SMILES notation for 6-methyl-N-propan-2-ylnon-3-en-1-amine?
The canonical SMILES for 6-methyl-N-propan-2-ylnon-3-en-1-amine is CCCC(C)CC=CCCNC(C)C.
What is the InChIKey of 6-methyl-N-propan-2-ylnon-3-en-1-amine?
The InChIKey is MKVCAEZUXZSVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-5-9-13(4)10-7-6-8-11-14-12(2)3/h6-7,12-14H,5,8-11H2,1-4H3.
What are the key properties of 6-methyl-N-propan-2-ylnon-3-en-1-amine?
6-methyl-N-propan-2-ylnon-3-en-1-amine has a molecular weight of 197.37 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-propan-2-ylnon-3-en-1-amine is sourced from PubChem (CID 79592090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).