1-[3-(dipropylamino)cyclohexyl]propan-1-one

C15H29NO — CID 67908451

IUPAC1-[3-(dipropylamino)cyclohexyl]propan-1-one
SMILESCCCN(CCC)C1CCCC(C(=O)CC)C1
InChIInChI=1S/C15H29NO/c1-4-10-16(11-5-2)14-9-7-8-13(12-14)15(17)6-3/h13-14H,4-12H2,1-3H3
InChIKeyQQKRGEKRPKVENC-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.65
Rot. Bonds7

About 1-[3-(dipropylamino)cyclohexyl]propan-1-one

1-[3-(dipropylamino)cyclohexyl]propan-1-one (PubChem CID 67908451) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 1-[3-(dipropylamino)cyclohexyl]propan-1-one.

Molecular Properties

Compound Name1-[3-(dipropylamino)cyclohexyl]propan-1-one
PubChem CID67908451
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name1-[3-(dipropylamino)cyclohexyl]propan-1-one
SMILESCCCN(CCC)C1CCCC(C(=O)CC)C1
InChIInChI=1S/C15H29NO/c1-4-10-16(11-5-2)14-9-7-8-13(12-14)15(17)6-3/h13-14H,4-12H2,1-3H3
InChIKeyQQKRGEKRPKVENC-UHFFFAOYSA-N
XLogP3.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(dipropylamino)cyclohexyl]propan-1-one?
The IUPAC name of 1-[3-(dipropylamino)cyclohexyl]propan-1-one (CID 67908451) is 1-[3-(dipropylamino)cyclohexyl]propan-1-one.
What is the SMILES notation for 1-[3-(dipropylamino)cyclohexyl]propan-1-one?
The canonical SMILES for 1-[3-(dipropylamino)cyclohexyl]propan-1-one is CCCN(CCC)C1CCCC(C(=O)CC)C1.
What is the InChIKey of 1-[3-(dipropylamino)cyclohexyl]propan-1-one?
The InChIKey is QQKRGEKRPKVENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-4-10-16(11-5-2)14-9-7-8-13(12-14)15(17)6-3/h13-14H,4-12H2,1-3H3.
What are the key properties of 1-[3-(dipropylamino)cyclohexyl]propan-1-one?
1-[3-(dipropylamino)cyclohexyl]propan-1-one has a molecular weight of 239.40 g/mol, XLogP of 3.65, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dipropylamino)cyclohexyl]propan-1-one is sourced from PubChem (CID 67908451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).