N-(cyclohexa-2,4-dien-1-ylidenemethyl)-N-hexylhexan-1-amine

C19H33N — CID 141446652

IUPACN-(cyclohexa-2,4-dien-1-ylidenemethyl)-N-hexylhexan-1-amine
SMILESCCCCCCN(C=C1C=CC=CC1)CCCCCC
InChIInChI=1S/C19H33N/c1-3-5-7-12-16-20(17-13-8-6-4-2)18-19-14-10-9-11-15-19/h9-11,14,18H,3-8,12-13,15-17H2,1-2H3
InChIKeyKZUOACJBRDZOSZ-UHFFFAOYSA-N
MW275.48 g/mol
LogP5.85
Rot. Bonds11

About N-(cyclohexa-2,4-dien-1-ylidenemethyl)-N-hexylhexan-1-amine

N-(cyclohexa-2,4-dien-1-ylidenemethyl)-N-hexylhexan-1-amine (PubChem CID 141446652) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is N-(cyclohexa-2,4-dien-1-ylidenemethyl)-N-hexylhexan-1-amine.

Molecular Properties

Compound NameN-(cyclohexa-2,4-dien-1-ylidenemethyl)-N-hexylhexan-1-amine
PubChem CID141446652
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC NameN-(cyclohexa-2,4-dien-1-ylidenemethyl)-N-hexylhexan-1-amine
SMILESCCCCCCN(C=C1C=CC=CC1)CCCCCC
InChIInChI=1S/C19H33N/c1-3-5-7-12-16-20(17-13-8-6-4-2)18-19-14-10-9-11-15-19/h9-11,14,18H,3-8,12-13,15-17H2,1-2H3
InChIKeyKZUOACJBRDZOSZ-UHFFFAOYSA-N
XLogP5.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.48
LogP ≤ 55.85
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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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexa-2,4-dien-1-ylidenemethyl)-N-hexylhexan-1-amine?
The IUPAC name of N-(cyclohexa-2,4-dien-1-ylidenemethyl)-N-hexylhexan-1-amine (CID 141446652) is N-(cyclohexa-2,4-dien-1-ylidenemethyl)-N-hexylhexan-1-amine.
What is the SMILES notation for N-(cyclohexa-2,4-dien-1-ylidenemethyl)-N-hexylhexan-1-amine?
The canonical SMILES for N-(cyclohexa-2,4-dien-1-ylidenemethyl)-N-hexylhexan-1-amine is CCCCCCN(C=C1C=CC=CC1)CCCCCC.
What is the InChIKey of N-(cyclohexa-2,4-dien-1-ylidenemethyl)-N-hexylhexan-1-amine?
The InChIKey is KZUOACJBRDZOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N/c1-3-5-7-12-16-20(17-13-8-6-4-2)18-19-14-10-9-11-15-19/h9-11,14,18H,3-8,12-13,15-17H2,1-2H3.
What are the key properties of N-(cyclohexa-2,4-dien-1-ylidenemethyl)-N-hexylhexan-1-amine?
N-(cyclohexa-2,4-dien-1-ylidenemethyl)-N-hexylhexan-1-amine has a molecular weight of 275.48 g/mol, XLogP of 5.85, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexa-2,4-dien-1-ylidenemethyl)-N-hexylhexan-1-amine is sourced from PubChem (CID 141446652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).