N-cyclohexyl-N-[2-(oxiran-2-ylmethyl)pentyl]cyclohexanamine

C20H37NO — CID 87096054

IUPACN-cyclohexyl-N-[2-(oxiran-2-ylmethyl)pentyl]cyclohexanamine
SMILESCCCC(CC1CO1)CN(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C20H37NO/c1-2-9-17(14-20-16-22-20)15-21(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h17-20H,2-16H2,1H3
InChIKeyBCWZGXILCDFQJK-UHFFFAOYSA-N
MW307.52 g/mol
LogP5.16
Rot. Bonds8

About N-cyclohexyl-N-[2-(oxiran-2-ylmethyl)pentyl]cyclohexanamine

N-cyclohexyl-N-[2-(oxiran-2-ylmethyl)pentyl]cyclohexanamine (PubChem CID 87096054) has the molecular formula C20H37NO and a molecular weight of 307.52 g/mol. Its IUPAC name is N-cyclohexyl-N-[2-(oxiran-2-ylmethyl)pentyl]cyclohexanamine.

Molecular Properties

Compound NameN-cyclohexyl-N-[2-(oxiran-2-ylmethyl)pentyl]cyclohexanamine
PubChem CID87096054
Molecular FormulaC20H37NO
Molecular Weight307.52 g/mol
Exact Mass307.29
IUPAC NameN-cyclohexyl-N-[2-(oxiran-2-ylmethyl)pentyl]cyclohexanamine
SMILESCCCC(CC1CO1)CN(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C20H37NO/c1-2-9-17(14-20-16-22-20)15-21(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h17-20H,2-16H2,1H3
InChIKeyBCWZGXILCDFQJK-UHFFFAOYSA-N
XLogP5.16
TPSA15.77 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.52
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[2-(oxiran-2-ylmethyl)pentyl]cyclohexanamine?
The IUPAC name of N-cyclohexyl-N-[2-(oxiran-2-ylmethyl)pentyl]cyclohexanamine (CID 87096054) is N-cyclohexyl-N-[2-(oxiran-2-ylmethyl)pentyl]cyclohexanamine.
What is the SMILES notation for N-cyclohexyl-N-[2-(oxiran-2-ylmethyl)pentyl]cyclohexanamine?
The canonical SMILES for N-cyclohexyl-N-[2-(oxiran-2-ylmethyl)pentyl]cyclohexanamine is CCCC(CC1CO1)CN(C1CCCCC1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-[2-(oxiran-2-ylmethyl)pentyl]cyclohexanamine?
The InChIKey is BCWZGXILCDFQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37NO/c1-2-9-17(14-20-16-22-20)15-21(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h17-20H,2-16H2,1H3.
What are the key properties of N-cyclohexyl-N-[2-(oxiran-2-ylmethyl)pentyl]cyclohexanamine?
N-cyclohexyl-N-[2-(oxiran-2-ylmethyl)pentyl]cyclohexanamine has a molecular weight of 307.52 g/mol, XLogP of 5.16, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[2-(oxiran-2-ylmethyl)pentyl]cyclohexanamine is sourced from PubChem (CID 87096054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).