2-[[bis(2-methylpropyl)amino]methyl]-4-propylcyclohexan-1-one

C18H35NO — CID 63483178

IUPAC2-[[bis(2-methylpropyl)amino]methyl]-4-propylcyclohexan-1-one
SMILESCCCC1CCC(=O)C(CN(CC(C)C)CC(C)C)C1
InChIInChI=1S/C18H35NO/c1-6-7-16-8-9-18(20)17(10-16)13-19(11-14(2)3)12-15(4)5/h14-17H,6-13H2,1-5H3
InChIKeyWIBSNARCKKFZIC-UHFFFAOYSA-N
MW281.48 g/mol
LogP4.39
Rot. Bonds8

About 2-[[bis(2-methylpropyl)amino]methyl]-4-propylcyclohexan-1-one

2-[[bis(2-methylpropyl)amino]methyl]-4-propylcyclohexan-1-one (PubChem CID 63483178) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is 2-[[bis(2-methylpropyl)amino]methyl]-4-propylcyclohexan-1-one.

Molecular Properties

Compound Name2-[[bis(2-methylpropyl)amino]methyl]-4-propylcyclohexan-1-one
PubChem CID63483178
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC Name2-[[bis(2-methylpropyl)amino]methyl]-4-propylcyclohexan-1-one
SMILESCCCC1CCC(=O)C(CN(CC(C)C)CC(C)C)C1
InChIInChI=1S/C18H35NO/c1-6-7-16-8-9-18(20)17(10-16)13-19(11-14(2)3)12-15(4)5/h14-17H,6-13H2,1-5H3
InChIKeyWIBSNARCKKFZIC-UHFFFAOYSA-N
XLogP4.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.48
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[bis(2-methylpropyl)amino]methyl]-4-propylcyclohexan-1-one?
The IUPAC name of 2-[[bis(2-methylpropyl)amino]methyl]-4-propylcyclohexan-1-one (CID 63483178) is 2-[[bis(2-methylpropyl)amino]methyl]-4-propylcyclohexan-1-one.
What is the SMILES notation for 2-[[bis(2-methylpropyl)amino]methyl]-4-propylcyclohexan-1-one?
The canonical SMILES for 2-[[bis(2-methylpropyl)amino]methyl]-4-propylcyclohexan-1-one is CCCC1CCC(=O)C(CN(CC(C)C)CC(C)C)C1.
What is the InChIKey of 2-[[bis(2-methylpropyl)amino]methyl]-4-propylcyclohexan-1-one?
The InChIKey is WIBSNARCKKFZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO/c1-6-7-16-8-9-18(20)17(10-16)13-19(11-14(2)3)12-15(4)5/h14-17H,6-13H2,1-5H3.
What are the key properties of 2-[[bis(2-methylpropyl)amino]methyl]-4-propylcyclohexan-1-one?
2-[[bis(2-methylpropyl)amino]methyl]-4-propylcyclohexan-1-one has a molecular weight of 281.48 g/mol, XLogP of 4.39, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[bis(2-methylpropyl)amino]methyl]-4-propylcyclohexan-1-one is sourced from PubChem (CID 63483178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).