2,2-dimethyl-N-[2-(1-phenylcyclohexyl)ethyl]oxan-4-amine

C21H33NO — CID 42654800

IUPAC2,2-dimethyl-N-[2-(1-phenylcyclohexyl)ethyl]oxan-4-amine
SMILESCC1(C)CC(NCCC2(c3ccccc3)CCCCC2)CCO1
InChIInChI=1S/C21H33NO/c1-20(2)17-19(11-16-23-20)22-15-14-21(12-7-4-8-13-21)18-9-5-3-6-10-18/h3,5-6,9-10,19,22H,4,7-8,11-17H2,1-2H3
InChIKeySJBWMHRBYVIQDU-UHFFFAOYSA-N
MW315.50 g/mol
LogP4.83
Rot. Bonds5

About 2,2-dimethyl-N-[2-(1-phenylcyclohexyl)ethyl]oxan-4-amine

2,2-dimethyl-N-[2-(1-phenylcyclohexyl)ethyl]oxan-4-amine (PubChem CID 42654800) has the molecular formula C21H33NO and a molecular weight of 315.50 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-(1-phenylcyclohexyl)ethyl]oxan-4-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-(1-phenylcyclohexyl)ethyl]oxan-4-amine
PubChem CID42654800
Molecular FormulaC21H33NO
Molecular Weight315.50 g/mol
Exact Mass315.26
IUPAC Name2,2-dimethyl-N-[2-(1-phenylcyclohexyl)ethyl]oxan-4-amine
SMILESCC1(C)CC(NCCC2(c3ccccc3)CCCCC2)CCO1
InChIInChI=1S/C21H33NO/c1-20(2)17-19(11-16-23-20)22-15-14-21(12-7-4-8-13-21)18-9-5-3-6-10-18/h3,5-6,9-10,19,22H,4,7-8,11-17H2,1-2H3
InChIKeySJBWMHRBYVIQDU-UHFFFAOYSA-N
XLogP4.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.50
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-(1-phenylcyclohexyl)ethyl]oxan-4-amine?
The IUPAC name of 2,2-dimethyl-N-[2-(1-phenylcyclohexyl)ethyl]oxan-4-amine (CID 42654800) is 2,2-dimethyl-N-[2-(1-phenylcyclohexyl)ethyl]oxan-4-amine.
What is the SMILES notation for 2,2-dimethyl-N-[2-(1-phenylcyclohexyl)ethyl]oxan-4-amine?
The canonical SMILES for 2,2-dimethyl-N-[2-(1-phenylcyclohexyl)ethyl]oxan-4-amine is CC1(C)CC(NCCC2(c3ccccc3)CCCCC2)CCO1.
What is the InChIKey of 2,2-dimethyl-N-[2-(1-phenylcyclohexyl)ethyl]oxan-4-amine?
The InChIKey is SJBWMHRBYVIQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33NO/c1-20(2)17-19(11-16-23-20)22-15-14-21(12-7-4-8-13-21)18-9-5-3-6-10-18/h3,5-6,9-10,19,22H,4,7-8,11-17H2,1-2H3.
What are the key properties of 2,2-dimethyl-N-[2-(1-phenylcyclohexyl)ethyl]oxan-4-amine?
2,2-dimethyl-N-[2-(1-phenylcyclohexyl)ethyl]oxan-4-amine has a molecular weight of 315.50 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-(1-phenylcyclohexyl)ethyl]oxan-4-amine is sourced from PubChem (CID 42654800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).