N,N,6-trimethylnona-2,4,8-trien-2-amine

C12H21N — CID 123195262

IUPACN,N,6-trimethylnona-2,4,8-trien-2-amine
SMILESC=CCC(C)C=CC=C(C)N(C)C
InChIInChI=1S/C12H21N/c1-6-8-11(2)9-7-10-12(3)13(4)5/h6-7,9-11H,1,8H2,2-5H3
InChIKeyHQXWVHOLRKBAFM-UHFFFAOYSA-N
MW179.31 g/mol
LogP3.22
Rot. Bonds5

About N,N,6-trimethylnona-2,4,8-trien-2-amine

N,N,6-trimethylnona-2,4,8-trien-2-amine (PubChem CID 123195262) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is N,N,6-trimethylnona-2,4,8-trien-2-amine.

Molecular Properties

Compound NameN,N,6-trimethylnona-2,4,8-trien-2-amine
PubChem CID123195262
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC NameN,N,6-trimethylnona-2,4,8-trien-2-amine
SMILESC=CCC(C)C=CC=C(C)N(C)C
InChIInChI=1S/C12H21N/c1-6-8-11(2)9-7-10-12(3)13(4)5/h6-7,9-11H,1,8H2,2-5H3
InChIKeyHQXWVHOLRKBAFM-UHFFFAOYSA-N
XLogP3.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2E,4Z)-N,N-dimethylhexa-2,4-dien-2-amine
CID 59881286
4-methylhepta-2,6-dienoic acid
CID 123607563
N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-N-[(2E)-4-methylhepta-2,6-dien-2-yl]-4-(4-methylphenyl)aniline
CID 89264612
N-[(3Z,5E)-6-[ethenyl(methyl)amino]hepta-3,5-dien-2-yl]-N-methylprop-2-enamide
CID 170184127
(3E)-5-methylocta-3,7-dienoic acid
CID 12676518
(6Z,8S)-3,8-dimethylundeca-1,2,6,10-tetraene
CID 59644089
acetic acid;2,4-dimethylhepta-2,6-dien-1-ol
CID 71343494
(2R)-2-methylpent-4-enal;(2S)-2-methylpent-4-enal
CID 159356826
(4R,5E)-7,7,7-trifluoro-4,6-dimethylhepta-1,5-diene
CID 90261567
4-ethenyl-3,8-dimethyldeca-2,4,6-triene
CID 123413794
(2E,4Z)-6-methylnona-2,4-dien-2-ol
CID 142891903
N,3-dimethyl-N-propan-2-ylhexa-1,5-dien-2-amine
CID 123847432

Frequently Asked Questions

What is the IUPAC name of N,N,6-trimethylnona-2,4,8-trien-2-amine?
The IUPAC name of N,N,6-trimethylnona-2,4,8-trien-2-amine (CID 123195262) is N,N,6-trimethylnona-2,4,8-trien-2-amine.
What is the SMILES notation for N,N,6-trimethylnona-2,4,8-trien-2-amine?
The canonical SMILES for N,N,6-trimethylnona-2,4,8-trien-2-amine is C=CCC(C)C=CC=C(C)N(C)C.
What is the InChIKey of N,N,6-trimethylnona-2,4,8-trien-2-amine?
The InChIKey is HQXWVHOLRKBAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-6-8-11(2)9-7-10-12(3)13(4)5/h6-7,9-11H,1,8H2,2-5H3.
What are the key properties of N,N,6-trimethylnona-2,4,8-trien-2-amine?
N,N,6-trimethylnona-2,4,8-trien-2-amine has a molecular weight of 179.31 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,6-trimethylnona-2,4,8-trien-2-amine is sourced from PubChem (CID 123195262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).