N,N-dibutyl-6-hexylcyclohexa-1,5-dien-1-amine

C20H37N — CID 71283006

IUPACN,N-dibutyl-6-hexylcyclohexa-1,5-dien-1-amine
SMILESCCCCCCC1=CCCC=C1N(CCCC)CCCC
InChIInChI=1S/C20H37N/c1-4-7-10-11-14-19-15-12-13-16-20(19)21(17-8-5-2)18-9-6-3/h15-16H,4-14,17-18H2,1-3H3
InChIKeyCHWIAXPZGBHKIO-UHFFFAOYSA-N
MW291.52 g/mol
LogP6.46
Rot. Bonds12

About N,N-dibutyl-6-hexylcyclohexa-1,5-dien-1-amine

N,N-dibutyl-6-hexylcyclohexa-1,5-dien-1-amine (PubChem CID 71283006) has the molecular formula C20H37N and a molecular weight of 291.52 g/mol. Its IUPAC name is N,N-dibutyl-6-hexylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound NameN,N-dibutyl-6-hexylcyclohexa-1,5-dien-1-amine
PubChem CID71283006
Molecular FormulaC20H37N
Molecular Weight291.52 g/mol
Exact Mass291.29
IUPAC NameN,N-dibutyl-6-hexylcyclohexa-1,5-dien-1-amine
SMILESCCCCCCC1=CCCC=C1N(CCCC)CCCC
InChIInChI=1S/C20H37N/c1-4-7-10-11-14-19-15-12-13-16-20(19)21(17-8-5-2)18-9-6-3/h15-16H,4-14,17-18H2,1-3H3
InChIKeyCHWIAXPZGBHKIO-UHFFFAOYSA-N
XLogP6.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.52
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Pyridine, 1-butyl-3,5-diethyl-1,2-dihydro-2-propyl-
CID 114238
(3E)-7-(2,4-difluorocyclohexa-1,3-dien-1-yl)-N,N-dimethylocta-3,7-dien-4-amine
CID 130324142
(2E,4Z)-3-N-ethyl-1-fluoro-3-N,13-N,13-N,5-tetramethylpentadeca-2,4-diene-3,13-diamine
CID 139423554
(3Z,5E)-N-(4-cyclohexa-1,5-dien-1-ylbutyl)-N-ethyl-2,4-difluorohepta-1,3,5-trien-3-amine
CID 146754551
2-ethyl-1-[1-(3-fluoro-4-pentylcyclohexa-1,3-dien-1-yl)ethenyl]-2H-azete
CID 156301177
6-ethenyl-5-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-1-methyl-3,4-dihydro-2H-pyridine
CID 156800339
6-ethenyl-1-ethyl-5-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-3,4-dihydro-2H-pyridine
CID 156800392
N-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-N,4-dimethylcyclohex-3-en-1-amine
CID 167169453
6-(4-fluoro-6-methylcyclohepta-1,4,6-trien-1-yl)-1-methyl-2-pentyl-3-prop-1-en-2-yl-2H-pyridine
CID 169948590
N-[(E)-6-ethenyloct-6-en-3-yl]-6-fluoro-N,4-dimethylcyclohexa-1,5-dien-1-amine
CID 173842377
2-(1-Dodecyl-2,6-dimethyl-4-pyridinylidene)propanedinitrile
CID 16737491
N,N-dibutyl-2-butylideneoctan-1-amine
CID 73030808

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-6-hexylcyclohexa-1,5-dien-1-amine?
The IUPAC name of N,N-dibutyl-6-hexylcyclohexa-1,5-dien-1-amine (CID 71283006) is N,N-dibutyl-6-hexylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for N,N-dibutyl-6-hexylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for N,N-dibutyl-6-hexylcyclohexa-1,5-dien-1-amine is CCCCCCC1=CCCC=C1N(CCCC)CCCC.
What is the InChIKey of N,N-dibutyl-6-hexylcyclohexa-1,5-dien-1-amine?
The InChIKey is CHWIAXPZGBHKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N/c1-4-7-10-11-14-19-15-12-13-16-20(19)21(17-8-5-2)18-9-6-3/h15-16H,4-14,17-18H2,1-3H3.
What are the key properties of N,N-dibutyl-6-hexylcyclohexa-1,5-dien-1-amine?
N,N-dibutyl-6-hexylcyclohexa-1,5-dien-1-amine has a molecular weight of 291.52 g/mol, XLogP of 6.46, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-6-hexylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 71283006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).