N,N-dimethylnona-2,4,6-trien-4-amine

C11H19N — CID 90801555

IUPACN,N-dimethylnona-2,4,6-trien-4-amine
SMILESCC=CC(=CC=CCC)N(C)C
InChIInChI=1S/C11H19N/c1-5-7-8-10-11(9-6-2)12(3)4/h6-10H,5H2,1-4H3
InChIKeyQHFMVYPBKXJLSV-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.97
Rot. Bonds4

About N,N-dimethylnona-2,4,6-trien-4-amine

N,N-dimethylnona-2,4,6-trien-4-amine (PubChem CID 90801555) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is N,N-dimethylnona-2,4,6-trien-4-amine.

Molecular Properties

Compound NameN,N-dimethylnona-2,4,6-trien-4-amine
PubChem CID90801555
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC NameN,N-dimethylnona-2,4,6-trien-4-amine
SMILESCC=CC(=CC=CCC)N(C)C
InChIInChI=1S/C11H19N/c1-5-7-8-10-11(9-6-2)12(3)4/h6-10H,5H2,1-4H3
InChIKeyQHFMVYPBKXJLSV-UHFFFAOYSA-N
XLogP2.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethylcyclopenta-1,4-dien-1-amine
CID 17775259
1-Methyl-2-vinylpyridine
CID 19781255
1-Methyl-6-methylidene-2,3-dihydropyridine
CID 58329250
N-methyl-2,6-lutidine
CID 68311864
Dimethylaminofulvene
CID 90007951
N,N-diethyl-4-fluorocyclohexa-1,5-dien-1-amine
CID 126629579
(3E,5Z)-N-fluoro-N-methylocta-1,3,5-trien-3-amine
CID 141779060
(2Z,4Z)-3-fluoro-N,N,6-trimethylhepta-2,4,6-trien-2-amine
CID 142309140
2-fluoro-N,N-dimethylcyclohexa-1,5-dien-1-amine
CID 144121249
(3E,5Z)-N,N-dimethyl-4-(trifluoromethyl)octa-1,3,5-trien-2-amine
CID 167210327
(2Z,4Z)-4-fluoro-N,N,5-trimethylhepta-2,4-dien-2-amine
CID 173817772
(3Z)-3,7-difluoro-N,N-dimethylnona-1,3,5,8-tetraen-4-amine
CID 174310536

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylnona-2,4,6-trien-4-amine?
The IUPAC name of N,N-dimethylnona-2,4,6-trien-4-amine (CID 90801555) is N,N-dimethylnona-2,4,6-trien-4-amine.
What is the SMILES notation for N,N-dimethylnona-2,4,6-trien-4-amine?
The canonical SMILES for N,N-dimethylnona-2,4,6-trien-4-amine is CC=CC(=CC=CCC)N(C)C.
What is the InChIKey of N,N-dimethylnona-2,4,6-trien-4-amine?
The InChIKey is QHFMVYPBKXJLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-5-7-8-10-11(9-6-2)12(3)4/h6-10H,5H2,1-4H3.
What are the key properties of N,N-dimethylnona-2,4,6-trien-4-amine?
N,N-dimethylnona-2,4,6-trien-4-amine has a molecular weight of 165.28 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylnona-2,4,6-trien-4-amine is sourced from PubChem (CID 90801555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).