N-(oxan-4-ylmethyl)-N-(2-propylpentyl)cyclohexanamine

C20H39NO — CID 170209709

IUPACN-(oxan-4-ylmethyl)-N-(2-propylpentyl)cyclohexanamine
SMILESCCCC(CCC)CN(CC1CCOCC1)C1CCCCC1
InChIInChI=1S/C20H39NO/c1-3-8-18(9-4-2)16-21(20-10-6-5-7-11-20)17-19-12-14-22-15-13-19/h18-20H,3-17H2,1-2H3
InChIKeyQUIZIDLAAIABOG-UHFFFAOYSA-N
MW309.54 g/mol
LogP5.26
Rot. Bonds9

About N-(oxan-4-ylmethyl)-N-(2-propylpentyl)cyclohexanamine

N-(oxan-4-ylmethyl)-N-(2-propylpentyl)cyclohexanamine (PubChem CID 170209709) has the molecular formula C20H39NO and a molecular weight of 309.54 g/mol. Its IUPAC name is N-(oxan-4-ylmethyl)-N-(2-propylpentyl)cyclohexanamine.

Molecular Properties

Compound NameN-(oxan-4-ylmethyl)-N-(2-propylpentyl)cyclohexanamine
PubChem CID170209709
Molecular FormulaC20H39NO
Molecular Weight309.54 g/mol
Exact Mass309.30
IUPAC NameN-(oxan-4-ylmethyl)-N-(2-propylpentyl)cyclohexanamine
SMILESCCCC(CCC)CN(CC1CCOCC1)C1CCCCC1
InChIInChI=1S/C20H39NO/c1-3-8-18(9-4-2)16-21(20-10-6-5-7-11-20)17-19-12-14-22-15-13-19/h18-20H,3-17H2,1-2H3
InChIKeyQUIZIDLAAIABOG-UHFFFAOYSA-N
XLogP5.26
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.54
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-ylmethyl)-N-(2-propylpentyl)cyclohexanamine?
The IUPAC name of N-(oxan-4-ylmethyl)-N-(2-propylpentyl)cyclohexanamine (CID 170209709) is N-(oxan-4-ylmethyl)-N-(2-propylpentyl)cyclohexanamine.
What is the SMILES notation for N-(oxan-4-ylmethyl)-N-(2-propylpentyl)cyclohexanamine?
The canonical SMILES for N-(oxan-4-ylmethyl)-N-(2-propylpentyl)cyclohexanamine is CCCC(CCC)CN(CC1CCOCC1)C1CCCCC1.
What is the InChIKey of N-(oxan-4-ylmethyl)-N-(2-propylpentyl)cyclohexanamine?
The InChIKey is QUIZIDLAAIABOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39NO/c1-3-8-18(9-4-2)16-21(20-10-6-5-7-11-20)17-19-12-14-22-15-13-19/h18-20H,3-17H2,1-2H3.
What are the key properties of N-(oxan-4-ylmethyl)-N-(2-propylpentyl)cyclohexanamine?
N-(oxan-4-ylmethyl)-N-(2-propylpentyl)cyclohexanamine has a molecular weight of 309.54 g/mol, XLogP of 5.26, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-ylmethyl)-N-(2-propylpentyl)cyclohexanamine is sourced from PubChem (CID 170209709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).