1-cyclobutylidene-N-(3-hexyliminopropyl)-N-methylbutan-1-amine

C18H34N2 — CID 123704773

IUPAC1-cyclobutylidene-N-(3-hexyliminopropyl)-N-methylbutan-1-amine
SMILESCCCCCC/N=C/CCN(C)C(CCC)=C1CCC1
InChIInChI=1S/C18H34N2/c1-4-6-7-8-14-19-15-10-16-20(3)18(11-5-2)17-12-9-13-17/h15H,4-14,16H2,1-3H3/b19-15+
InChIKeySXBTZTLXKSYOHZ-XDJHFCHBSA-N
MW278.48 g/mol
LogP5.20
Rot. Bonds11

About 1-cyclobutylidene-N-(3-hexyliminopropyl)-N-methylbutan-1-amine

1-cyclobutylidene-N-(3-hexyliminopropyl)-N-methylbutan-1-amine (PubChem CID 123704773) has the molecular formula C18H34N2 and a molecular weight of 278.48 g/mol. Its IUPAC name is 1-cyclobutylidene-N-(3-hexyliminopropyl)-N-methylbutan-1-amine.

Molecular Properties

Compound Name1-cyclobutylidene-N-(3-hexyliminopropyl)-N-methylbutan-1-amine
PubChem CID123704773
Molecular FormulaC18H34N2
Molecular Weight278.48 g/mol
Exact Mass278.27
IUPAC Name1-cyclobutylidene-N-(3-hexyliminopropyl)-N-methylbutan-1-amine
SMILESCCCCCC/N=C/CCN(C)C(CCC)=C1CCC1
InChIInChI=1S/C18H34N2/c1-4-6-7-8-14-19-15-10-16-20(3)18(11-5-2)17-12-9-13-17/h15H,4-14,16H2,1-3H3/b19-15+
InChIKeySXBTZTLXKSYOHZ-XDJHFCHBSA-N
XLogP5.20
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.48
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2,3,9,10,12,18-Hexamethyl-3,9,13,17,20,24-hexazabicyclo[9.7.7]pentacosa-1,10,12,17,19,24-hexaene
CID 57248922
2,3,10,11,13,19-Hexamethyl-3,10,14,18,21,25-hexazabicyclo[10.7.7]hexacosa-1,11,13,18,20,25-hexaene
CID 57260839
(10Z)-2,3,9,10,12,18-hexamethyl-3,9,13,17,20,24-hexazabicyclo[9.7.7]pentacosa-1,10,12,17,19,24-hexaene
CID 145807028
(11Z)-2,3,10,11,13,19-hexamethyl-3,10,14,18,21,25-hexazabicyclo[10.7.7]hexacosa-1,11,13,18,20,25-hexaene
CID 145807029
(E)-5-methyl-6-(propan-2-ylideneamino)-N,N-dipropylhept-5-en-1-amine
CID 170408542

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutylidene-N-(3-hexyliminopropyl)-N-methylbutan-1-amine?
The IUPAC name of 1-cyclobutylidene-N-(3-hexyliminopropyl)-N-methylbutan-1-amine (CID 123704773) is 1-cyclobutylidene-N-(3-hexyliminopropyl)-N-methylbutan-1-amine.
What is the SMILES notation for 1-cyclobutylidene-N-(3-hexyliminopropyl)-N-methylbutan-1-amine?
The canonical SMILES for 1-cyclobutylidene-N-(3-hexyliminopropyl)-N-methylbutan-1-amine is CCCCCC/N=C/CCN(C)C(CCC)=C1CCC1.
What is the InChIKey of 1-cyclobutylidene-N-(3-hexyliminopropyl)-N-methylbutan-1-amine?
The InChIKey is SXBTZTLXKSYOHZ-XDJHFCHBSA-N. The full InChI is InChI=1S/C18H34N2/c1-4-6-7-8-14-19-15-10-16-20(3)18(11-5-2)17-12-9-13-17/h15H,4-14,16H2,1-3H3/b19-15+.
What are the key properties of 1-cyclobutylidene-N-(3-hexyliminopropyl)-N-methylbutan-1-amine?
1-cyclobutylidene-N-(3-hexyliminopropyl)-N-methylbutan-1-amine has a molecular weight of 278.48 g/mol, XLogP of 5.20, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutylidene-N-(3-hexyliminopropyl)-N-methylbutan-1-amine is sourced from PubChem (CID 123704773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).