1-[(3S)-3-(dipropylamino)cyclohexyl]ethanone

C14H27NO — CID 67908683

IUPAC1-[(3S)-3-(dipropylamino)cyclohexyl]ethanone
SMILESCCCN(CCC)[C@H]1CCCC(C(C)=O)C1
InChIInChI=1S/C14H27NO/c1-4-9-15(10-5-2)14-8-6-7-13(11-14)12(3)16/h13-14H,4-11H2,1-3H3/t13?,14-/m0/s1
InChIKeyKRJBWFQWHSYECG-KZUDCZAMSA-N
MW225.38 g/mol
LogP3.26
Rot. Bonds6

About 1-[(3S)-3-(dipropylamino)cyclohexyl]ethanone

1-[(3S)-3-(dipropylamino)cyclohexyl]ethanone (PubChem CID 67908683) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-[(3S)-3-(dipropylamino)cyclohexyl]ethanone.

Molecular Properties

Compound Name1-[(3S)-3-(dipropylamino)cyclohexyl]ethanone
PubChem CID67908683
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name1-[(3S)-3-(dipropylamino)cyclohexyl]ethanone
SMILESCCCN(CCC)[C@H]1CCCC(C(C)=O)C1
InChIInChI=1S/C14H27NO/c1-4-9-15(10-5-2)14-8-6-7-13(11-14)12(3)16/h13-14H,4-11H2,1-3H3/t13?,14-/m0/s1
InChIKeyKRJBWFQWHSYECG-KZUDCZAMSA-N
XLogP3.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-(dipropylamino)cyclohexyl]ethanone?
The IUPAC name of 1-[(3S)-3-(dipropylamino)cyclohexyl]ethanone (CID 67908683) is 1-[(3S)-3-(dipropylamino)cyclohexyl]ethanone.
What is the SMILES notation for 1-[(3S)-3-(dipropylamino)cyclohexyl]ethanone?
The canonical SMILES for 1-[(3S)-3-(dipropylamino)cyclohexyl]ethanone is CCCN(CCC)[C@H]1CCCC(C(C)=O)C1.
What is the InChIKey of 1-[(3S)-3-(dipropylamino)cyclohexyl]ethanone?
The InChIKey is KRJBWFQWHSYECG-KZUDCZAMSA-N. The full InChI is InChI=1S/C14H27NO/c1-4-9-15(10-5-2)14-8-6-7-13(11-14)12(3)16/h13-14H,4-11H2,1-3H3/t13?,14-/m0/s1.
What are the key properties of 1-[(3S)-3-(dipropylamino)cyclohexyl]ethanone?
1-[(3S)-3-(dipropylamino)cyclohexyl]ethanone has a molecular weight of 225.38 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-(dipropylamino)cyclohexyl]ethanone is sourced from PubChem (CID 67908683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).