N,6-dimethylhepta-1,3,5-trien-1-amine

C9H15N — CID 58637875

IUPACN,6-dimethylhepta-1,3,5-trien-1-amine
SMILESCNC=CC=CC=C(C)C
InChIInChI=1S/C9H15N/c1-9(2)7-5-4-6-8-10-3/h4-8,10H,1-3H3
InChIKeyIHXNUWLLPIMYTQ-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.24
Rot. Bonds3

About N,6-dimethylhepta-1,3,5-trien-1-amine

N,6-dimethylhepta-1,3,5-trien-1-amine (PubChem CID 58637875) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is N,6-dimethylhepta-1,3,5-trien-1-amine.

Molecular Properties

Compound NameN,6-dimethylhepta-1,3,5-trien-1-amine
PubChem CID58637875
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC NameN,6-dimethylhepta-1,3,5-trien-1-amine
SMILESCNC=CC=CC=C(C)C
InChIInChI=1S/C9H15N/c1-9(2)7-5-4-6-8-10-3/h4-8,10H,1-3H3
InChIKeyIHXNUWLLPIMYTQ-UHFFFAOYSA-N
XLogP2.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-Methyl dihydropyridine
CID 407036
(4-Methyl)-1,3-pentadien-1-amine
CID 59886133
(2E,4E)-N-ethenyl-5-fluoro-2-methylhexa-2,4-dien-1-amine
CID 88935075
2-Fluoro-3-methyl-1,2-dihydropyridine
CID 89243579
(1Z,3E)-N-ethenyl-3-(trifluoromethyl)penta-1,3-dien-1-amine
CID 138628392
[(1Z,3Z)-5-fluoro-4-methylpenta-1,3-dienyl]-methylazanium
CID 142969581
(1Z,3Z)-5-fluoro-N-methylpenta-1,3-dien-1-amine
CID 144125941
(1Z,3E)-4-fluoro-N-methylpenta-1,3-dien-1-amine
CID 146384626
(1E,3E)-3-fluoro-N-methylhexa-1,3,5-trien-1-amine
CID 154979132
(1E)-2-fluoro-N,4-dimethylpenta-1,3-dien-1-amine
CID 166735157
(1E)-N,N,4-trimethylpenta-1,3-dien-1-amine
CID 14611150
Aza[13]annulene
CID 12242088

Frequently Asked Questions

What is the IUPAC name of N,6-dimethylhepta-1,3,5-trien-1-amine?
The IUPAC name of N,6-dimethylhepta-1,3,5-trien-1-amine (CID 58637875) is N,6-dimethylhepta-1,3,5-trien-1-amine.
What is the SMILES notation for N,6-dimethylhepta-1,3,5-trien-1-amine?
The canonical SMILES for N,6-dimethylhepta-1,3,5-trien-1-amine is CNC=CC=CC=C(C)C.
What is the InChIKey of N,6-dimethylhepta-1,3,5-trien-1-amine?
The InChIKey is IHXNUWLLPIMYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-9(2)7-5-4-6-8-10-3/h4-8,10H,1-3H3.
What are the key properties of N,6-dimethylhepta-1,3,5-trien-1-amine?
N,6-dimethylhepta-1,3,5-trien-1-amine has a molecular weight of 137.23 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethylhepta-1,3,5-trien-1-amine is sourced from PubChem (CID 58637875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).