2-amino-4-butyl-4-phenylcyclohexan-1-one

C16H23NO — CID 68697022

IUPAC2-amino-4-butyl-4-phenylcyclohexan-1-one
SMILESCCCCC1(c2ccccc2)CCC(=O)C(N)C1
InChIInChI=1S/C16H23NO/c1-2-3-10-16(13-7-5-4-6-8-13)11-9-15(18)14(17)12-16/h4-8,14H,2-3,9-12,17H2,1H3
InChIKeyNDOUGIGTIVNUPQ-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.19
Rot. Bonds4

About 2-amino-4-butyl-4-phenylcyclohexan-1-one

2-amino-4-butyl-4-phenylcyclohexan-1-one (PubChem CID 68697022) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-amino-4-butyl-4-phenylcyclohexan-1-one.

Molecular Properties

Compound Name2-amino-4-butyl-4-phenylcyclohexan-1-one
PubChem CID68697022
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name2-amino-4-butyl-4-phenylcyclohexan-1-one
SMILESCCCCC1(c2ccccc2)CCC(=O)C(N)C1
InChIInChI=1S/C16H23NO/c1-2-3-10-16(13-7-5-4-6-8-13)11-9-15(18)14(17)12-16/h4-8,14H,2-3,9-12,17H2,1H3
InChIKeyNDOUGIGTIVNUPQ-UHFFFAOYSA-N
XLogP3.19
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-butyl-4-phenylcyclohexan-1-one?
The IUPAC name of 2-amino-4-butyl-4-phenylcyclohexan-1-one (CID 68697022) is 2-amino-4-butyl-4-phenylcyclohexan-1-one.
What is the SMILES notation for 2-amino-4-butyl-4-phenylcyclohexan-1-one?
The canonical SMILES for 2-amino-4-butyl-4-phenylcyclohexan-1-one is CCCCC1(c2ccccc2)CCC(=O)C(N)C1.
What is the InChIKey of 2-amino-4-butyl-4-phenylcyclohexan-1-one?
The InChIKey is NDOUGIGTIVNUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-2-3-10-16(13-7-5-4-6-8-13)11-9-15(18)14(17)12-16/h4-8,14H,2-3,9-12,17H2,1H3.
What are the key properties of 2-amino-4-butyl-4-phenylcyclohexan-1-one?
2-amino-4-butyl-4-phenylcyclohexan-1-one has a molecular weight of 245.37 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-butyl-4-phenylcyclohexan-1-one is sourced from PubChem (CID 68697022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).