2-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-3,5-dimethylcyclohexan-1-one

C16H29NO — CID 64737376

IUPAC2-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-3,5-dimethylcyclohexan-1-one
SMILESCC1CC(=O)C(CN(CC2CC2)C(C)C)C(C)C1
InChIInChI=1S/C16H29NO/c1-11(2)17(9-14-5-6-14)10-15-13(4)7-12(3)8-16(15)18/h11-15H,5-10H2,1-4H3
InChIKeyFEMPBQUOLRMWCW-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.36
Rot. Bonds5

About 2-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-3,5-dimethylcyclohexan-1-one

2-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-3,5-dimethylcyclohexan-1-one (PubChem CID 64737376) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 2-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-3,5-dimethylcyclohexan-1-one.

Molecular Properties

Compound Name2-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-3,5-dimethylcyclohexan-1-one
PubChem CID64737376
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name2-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-3,5-dimethylcyclohexan-1-one
SMILESCC1CC(=O)C(CN(CC2CC2)C(C)C)C(C)C1
InChIInChI=1S/C16H29NO/c1-11(2)17(9-14-5-6-14)10-15-13(4)7-12(3)8-16(15)18/h11-15H,5-10H2,1-4H3
InChIKeyFEMPBQUOLRMWCW-UHFFFAOYSA-N
XLogP3.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-3,5-dimethylcyclohexan-1-one?
The IUPAC name of 2-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-3,5-dimethylcyclohexan-1-one (CID 64737376) is 2-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-3,5-dimethylcyclohexan-1-one.
What is the SMILES notation for 2-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-3,5-dimethylcyclohexan-1-one?
The canonical SMILES for 2-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-3,5-dimethylcyclohexan-1-one is CC1CC(=O)C(CN(CC2CC2)C(C)C)C(C)C1.
What is the InChIKey of 2-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-3,5-dimethylcyclohexan-1-one?
The InChIKey is FEMPBQUOLRMWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-11(2)17(9-14-5-6-14)10-15-13(4)7-12(3)8-16(15)18/h11-15H,5-10H2,1-4H3.
What are the key properties of 2-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-3,5-dimethylcyclohexan-1-one?
2-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-3,5-dimethylcyclohexan-1-one has a molecular weight of 251.41 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-3,5-dimethylcyclohexan-1-one is sourced from PubChem (CID 64737376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).