2,2-bis[(dipropylamino)methyl]cyclohexan-1-one

C20H40N2O — CID 154238302

IUPAC2,2-bis[(dipropylamino)methyl]cyclohexan-1-one
SMILESCCCN(CCC)CC1(CN(CCC)CCC)CCCCC1=O
InChIInChI=1S/C20H40N2O/c1-5-13-21(14-6-2)17-20(12-10-9-11-19(20)23)18-22(15-7-3)16-8-4/h5-18H2,1-4H3
InChIKeyQZHBHNNFIVIYSN-UHFFFAOYSA-N
MW324.55 g/mol
LogP4.36
Rot. Bonds12

About 2,2-bis[(dipropylamino)methyl]cyclohexan-1-one

2,2-bis[(dipropylamino)methyl]cyclohexan-1-one (PubChem CID 154238302) has the molecular formula C20H40N2O and a molecular weight of 324.55 g/mol. Its IUPAC name is 2,2-bis[(dipropylamino)methyl]cyclohexan-1-one.

Molecular Properties

Compound Name2,2-bis[(dipropylamino)methyl]cyclohexan-1-one
PubChem CID154238302
Molecular FormulaC20H40N2O
Molecular Weight324.55 g/mol
Exact Mass324.31
IUPAC Name2,2-bis[(dipropylamino)methyl]cyclohexan-1-one
SMILESCCCN(CCC)CC1(CN(CCC)CCC)CCCCC1=O
InChIInChI=1S/C20H40N2O/c1-5-13-21(14-6-2)17-20(12-10-9-11-19(20)23)18-22(15-7-3)16-8-4/h5-18H2,1-4H3
InChIKeyQZHBHNNFIVIYSN-UHFFFAOYSA-N
XLogP4.36
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.55
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis[(dipropylamino)methyl]cyclohexan-1-one?
The IUPAC name of 2,2-bis[(dipropylamino)methyl]cyclohexan-1-one (CID 154238302) is 2,2-bis[(dipropylamino)methyl]cyclohexan-1-one.
What is the SMILES notation for 2,2-bis[(dipropylamino)methyl]cyclohexan-1-one?
The canonical SMILES for 2,2-bis[(dipropylamino)methyl]cyclohexan-1-one is CCCN(CCC)CC1(CN(CCC)CCC)CCCCC1=O.
What is the InChIKey of 2,2-bis[(dipropylamino)methyl]cyclohexan-1-one?
The InChIKey is QZHBHNNFIVIYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N2O/c1-5-13-21(14-6-2)17-20(12-10-9-11-19(20)23)18-22(15-7-3)16-8-4/h5-18H2,1-4H3.
What are the key properties of 2,2-bis[(dipropylamino)methyl]cyclohexan-1-one?
2,2-bis[(dipropylamino)methyl]cyclohexan-1-one has a molecular weight of 324.55 g/mol, XLogP of 4.36, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis[(dipropylamino)methyl]cyclohexan-1-one is sourced from PubChem (CID 154238302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).