2-[[cyclopropylmethyl(propyl)amino]methyl]-4-propylcyclohexan-1-one

C17H31NO — CID 55094828

IUPAC2-[[cyclopropylmethyl(propyl)amino]methyl]-4-propylcyclohexan-1-one
SMILESCCCC1CCC(=O)C(CN(CCC)CC2CC2)C1
InChIInChI=1S/C17H31NO/c1-3-5-14-8-9-17(19)16(11-14)13-18(10-4-2)12-15-6-7-15/h14-16H,3-13H2,1-2H3
InChIKeyCQFASNDSCKSUTN-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.89
Rot. Bonds8

About 2-[[cyclopropylmethyl(propyl)amino]methyl]-4-propylcyclohexan-1-one

2-[[cyclopropylmethyl(propyl)amino]methyl]-4-propylcyclohexan-1-one (PubChem CID 55094828) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is 2-[[cyclopropylmethyl(propyl)amino]methyl]-4-propylcyclohexan-1-one.

Molecular Properties

Compound Name2-[[cyclopropylmethyl(propyl)amino]methyl]-4-propylcyclohexan-1-one
PubChem CID55094828
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name2-[[cyclopropylmethyl(propyl)amino]methyl]-4-propylcyclohexan-1-one
SMILESCCCC1CCC(=O)C(CN(CCC)CC2CC2)C1
InChIInChI=1S/C17H31NO/c1-3-5-14-8-9-17(19)16(11-14)13-18(10-4-2)12-15-6-7-15/h14-16H,3-13H2,1-2H3
InChIKeyCQFASNDSCKSUTN-UHFFFAOYSA-N
XLogP3.89
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[bis(2-methylpropyl)amino]methyl]-4-propylcyclohexan-1-one
CID 63483178
2-[[ethyl(3-hydroxypropyl)amino]methyl]-4-propylcyclohexan-1-one
CID 113469011
2-(2-ethylbutyl)-4-propylcyclohexan-1-one
CID 82928662
2-[(N-methylanilino)methyl]-4-propylcyclohexan-1-one
CID 62612678
2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-4-propylcyclohexan-1-one
CID 62614047
2-[2-(dipropylamino)ethyl]cyclobutan-1-one
CID 165449053
2-(3,3-dimethylbutyl)-4-propylcyclohexan-1-one
CID 63399562
2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-4-propylcyclohexan-1-one
CID 62613397
2-[[cyclopropylmethyl(propyl)amino]methyl]-4-propylcyclohexan-1-ol
CID 62609053
4-ethyl-2-[[ethyl(2-methoxyethyl)amino]methyl]cyclohexan-1-one
CID 62612886
2-[(3,5-dimethylpiperidin-1-yl)methyl]-4-propylcyclohexan-1-one
CID 62612514
4-propyl-2-[(3-propylpyrrolidin-1-yl)methyl]cyclohexan-1-one
CID 113418812

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropylmethyl(propyl)amino]methyl]-4-propylcyclohexan-1-one?
The IUPAC name of 2-[[cyclopropylmethyl(propyl)amino]methyl]-4-propylcyclohexan-1-one (CID 55094828) is 2-[[cyclopropylmethyl(propyl)amino]methyl]-4-propylcyclohexan-1-one.
What is the SMILES notation for 2-[[cyclopropylmethyl(propyl)amino]methyl]-4-propylcyclohexan-1-one?
The canonical SMILES for 2-[[cyclopropylmethyl(propyl)amino]methyl]-4-propylcyclohexan-1-one is CCCC1CCC(=O)C(CN(CCC)CC2CC2)C1.
What is the InChIKey of 2-[[cyclopropylmethyl(propyl)amino]methyl]-4-propylcyclohexan-1-one?
The InChIKey is CQFASNDSCKSUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-3-5-14-8-9-17(19)16(11-14)13-18(10-4-2)12-15-6-7-15/h14-16H,3-13H2,1-2H3.
What are the key properties of 2-[[cyclopropylmethyl(propyl)amino]methyl]-4-propylcyclohexan-1-one?
2-[[cyclopropylmethyl(propyl)amino]methyl]-4-propylcyclohexan-1-one has a molecular weight of 265.44 g/mol, XLogP of 3.89, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropylmethyl(propyl)amino]methyl]-4-propylcyclohexan-1-one is sourced from PubChem (CID 55094828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).