N-cyclohexylpentadecan-4-imine

C21H41N — CID 21412220

IUPACN-cyclohexylpentadecan-4-imine
SMILESCCCCCCCCCCC/C(CCC)=N/C1CCCCC1
InChIInChI=1S/C21H41N/c1-3-5-6-7-8-9-10-11-13-17-20(16-4-2)22-21-18-14-12-15-19-21/h21H,3-19H2,1-2H3/b22-20+
InChIKeyIUUKDGSPHBQKLO-LSDHQDQOSA-N
MW307.57 g/mol
LogP7.48
Rot. Bonds13

About N-cyclohexylpentadecan-4-imine

N-cyclohexylpentadecan-4-imine (PubChem CID 21412220) has the molecular formula C21H41N and a molecular weight of 307.57 g/mol. Its IUPAC name is N-cyclohexylpentadecan-4-imine.

Molecular Properties

Compound NameN-cyclohexylpentadecan-4-imine
PubChem CID21412220
Molecular FormulaC21H41N
Molecular Weight307.57 g/mol
Exact Mass307.32
IUPAC NameN-cyclohexylpentadecan-4-imine
SMILESCCCCCCCCCCC/C(CCC)=N/C1CCCCC1
InChIInChI=1S/C21H41N/c1-3-5-6-7-8-9-10-11-13-17-20(16-4-2)22-21-18-14-12-15-19-21/h21H,3-19H2,1-2H3/b22-20+
InChIKeyIUUKDGSPHBQKLO-LSDHQDQOSA-N
XLogP7.48
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.57
LogP ≤ 57.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexylpentadecan-4-imine?
The IUPAC name of N-cyclohexylpentadecan-4-imine (CID 21412220) is N-cyclohexylpentadecan-4-imine.
What is the SMILES notation for N-cyclohexylpentadecan-4-imine?
The canonical SMILES for N-cyclohexylpentadecan-4-imine is CCCCCCCCCCC/C(CCC)=N/C1CCCCC1.
What is the InChIKey of N-cyclohexylpentadecan-4-imine?
The InChIKey is IUUKDGSPHBQKLO-LSDHQDQOSA-N. The full InChI is InChI=1S/C21H41N/c1-3-5-6-7-8-9-10-11-13-17-20(16-4-2)22-21-18-14-12-15-19-21/h21H,3-19H2,1-2H3/b22-20+.
What are the key properties of N-cyclohexylpentadecan-4-imine?
N-cyclohexylpentadecan-4-imine has a molecular weight of 307.57 g/mol, XLogP of 7.48, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexylpentadecan-4-imine is sourced from PubChem (CID 21412220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).