1-cyclohexyl-4-(cyclopropylamino)butan-2-one

C13H23NO — CID 116559352

IUPAC1-cyclohexyl-4-(cyclopropylamino)butan-2-one
SMILESO=C(CCNC1CC1)CC1CCCCC1
InChIInChI=1S/C13H23NO/c15-13(8-9-14-12-6-7-12)10-11-4-2-1-3-5-11/h11-12,14H,1-10H2
InChIKeyCIPJXDRKKXXSDN-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.67
Rot. Bonds6

About 1-cyclohexyl-4-(cyclopropylamino)butan-2-one

1-cyclohexyl-4-(cyclopropylamino)butan-2-one (PubChem CID 116559352) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 1-cyclohexyl-4-(cyclopropylamino)butan-2-one.

Molecular Properties

Compound Name1-cyclohexyl-4-(cyclopropylamino)butan-2-one
PubChem CID116559352
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name1-cyclohexyl-4-(cyclopropylamino)butan-2-one
SMILESO=C(CCNC1CC1)CC1CCCCC1
InChIInChI=1S/C13H23NO/c15-13(8-9-14-12-6-7-12)10-11-4-2-1-3-5-11/h11-12,14H,1-10H2
InChIKeyCIPJXDRKKXXSDN-UHFFFAOYSA-N
XLogP2.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-1-cyclopentylbutan-2-one
CID 57105586
N,N-dicyclohexyl-3-(cyclopropylamino)propanamide
CID 60842293
1-cyclopropyl-4-(methylamino)butan-2-one
CID 116561221
1-cycloheptylhex-5-yn-2-one
CID 114972742
1-cyclohexyl-5-methylhex-5-en-2-one
CID 58107373
cyclopentyl 3-(cyclopropylamino)propanoate
CID 61278609
1-cyclohexylnonan-2-one
CID 22768059
8-amino-1-cyclohexyloctan-2-one
CID 116551525
4-cyclohexyl-1-(oxan-4-yl)butan-2-one
CID 114969110
4-(2-cyclopentylethylamino)cyclohexane-1-carboxylic acid
CID 115149137
3-(cyclobutylamino)-N-cyclopropylpropanamide
CID 62627198
4-(cycloheptylamino)butanoic acid
CID 43377987

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-(cyclopropylamino)butan-2-one?
The IUPAC name of 1-cyclohexyl-4-(cyclopropylamino)butan-2-one (CID 116559352) is 1-cyclohexyl-4-(cyclopropylamino)butan-2-one.
What is the SMILES notation for 1-cyclohexyl-4-(cyclopropylamino)butan-2-one?
The canonical SMILES for 1-cyclohexyl-4-(cyclopropylamino)butan-2-one is O=C(CCNC1CC1)CC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-4-(cyclopropylamino)butan-2-one?
The InChIKey is CIPJXDRKKXXSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c15-13(8-9-14-12-6-7-12)10-11-4-2-1-3-5-11/h11-12,14H,1-10H2.
What are the key properties of 1-cyclohexyl-4-(cyclopropylamino)butan-2-one?
1-cyclohexyl-4-(cyclopropylamino)butan-2-one has a molecular weight of 209.33 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-(cyclopropylamino)butan-2-one is sourced from PubChem (CID 116559352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).