1-(dicyclohexylamino)propan-2-one

C15H27NO — CID 43219211

IUPAC1-(dicyclohexylamino)propan-2-one
SMILESCC(=O)CN(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C15H27NO/c1-13(17)12-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h14-15H,2-12H2,1H3
InChIKeyDZNXWGNEZLELKN-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.54
Rot. Bonds4

About 1-(dicyclohexylamino)propan-2-one

1-(dicyclohexylamino)propan-2-one (PubChem CID 43219211) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-(dicyclohexylamino)propan-2-one.

Molecular Properties

Compound Name1-(dicyclohexylamino)propan-2-one
PubChem CID43219211
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name1-(dicyclohexylamino)propan-2-one
SMILESCC(=O)CN(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C15H27NO/c1-13(17)12-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h14-15H,2-12H2,1H3
InChIKeyDZNXWGNEZLELKN-UHFFFAOYSA-N
XLogP3.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[cyclohexyl(hydroxy)amino]propan-2-one
CID 123340068
3-[cyclohexyl(2-oxopropyl)amino]propanoic acid
CID 82329101
2-[cyclohexyl(methyl)amino]acetamide
CID 22200523
2-(dicyclohexylamino)-1-pyrrolidin-1-ylethanone
CID 78843214
2-[cyclohexyl(oxetan-3-yl)amino]acetic acid
CID 83821316
2-[cycloheptyl(methyl)amino]acetic acid
CID 43409736
2-[cycloheptyl(methyl)amino]acetohydrazide
CID 63574269
2-[carboxy(cyclohexyl)amino]ethyl-cyclohexylcarbamic acid
CID 70554590
N-cyclononyl-N-hydroxyacetamide
CID 135197506
N-(cyclobutylmethyl)-N-cyclohexylacetamide
CID 91799072
methyl 2-[cyclopentyl-(4-ethylcyclohexyl)amino]acetate
CID 113330885
4-[cycloheptyl(methyl)amino]pentan-2-one
CID 64696664

Frequently Asked Questions

What is the IUPAC name of 1-(dicyclohexylamino)propan-2-one?
The IUPAC name of 1-(dicyclohexylamino)propan-2-one (CID 43219211) is 1-(dicyclohexylamino)propan-2-one.
What is the SMILES notation for 1-(dicyclohexylamino)propan-2-one?
The canonical SMILES for 1-(dicyclohexylamino)propan-2-one is CC(=O)CN(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 1-(dicyclohexylamino)propan-2-one?
The InChIKey is DZNXWGNEZLELKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-13(17)12-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h14-15H,2-12H2,1H3.
What are the key properties of 1-(dicyclohexylamino)propan-2-one?
1-(dicyclohexylamino)propan-2-one has a molecular weight of 237.39 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dicyclohexylamino)propan-2-one is sourced from PubChem (CID 43219211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).