1-[3-(dipropylamino)cyclohexyl]-2-methoxyethanone

C15H29NO2 — CID 57131585

IUPAC1-[3-(dipropylamino)cyclohexyl]-2-methoxyethanone
SMILESCCCN(CCC)C1CCCC(C(=O)COC)C1
InChIInChI=1S/C15H29NO2/c1-4-9-16(10-5-2)14-8-6-7-13(11-14)15(17)12-18-3/h13-14H,4-12H2,1-3H3
InChIKeyWSZFKTDWBPUURP-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.88
Rot. Bonds8

About 1-[3-(dipropylamino)cyclohexyl]-2-methoxyethanone

1-[3-(dipropylamino)cyclohexyl]-2-methoxyethanone (PubChem CID 57131585) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 1-[3-(dipropylamino)cyclohexyl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[3-(dipropylamino)cyclohexyl]-2-methoxyethanone
PubChem CID57131585
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name1-[3-(dipropylamino)cyclohexyl]-2-methoxyethanone
SMILESCCCN(CCC)C1CCCC(C(=O)COC)C1
InChIInChI=1S/C15H29NO2/c1-4-9-16(10-5-2)14-8-6-7-13(11-14)15(17)12-18-3/h13-14H,4-12H2,1-3H3
InChIKeyWSZFKTDWBPUURP-UHFFFAOYSA-N
XLogP2.88
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dipropylcyclodecanamine
CID 139723962
1-(3,5-dimethylcyclohexyl)-2-methoxyethanone
CID 64729888
1-(4-butylcyclohexyl)-2-methoxyethanone
CID 115783287
2-[cyclododecyl(propyl)amino]acetic acid
CID 65064979
1-cyclohexyl-2-[piperidin-4-yl(propyl)amino]ethanone
CID 104750584
3-amino-N-methyl-N-propylcyclohexane-1-carboxamide
CID 62778074
cis-(1R,3S)-3-fluoro-N-methyl-N-propylcyclohexane-1-carboxamide
CID 129348776
2-[propyl-[3-(trifluoromethyl)cyclohexyl]amino]acetic acid
CID 65065038
1-[cyclohexyl(2-hydroxyethyl)amino]-3-methoxypropan-2-one
CID 107507311
methyl 2-[oxan-4-yl(propyl)amino]acetate
CID 63937297
3-[(2-methoxyacetyl)amino]cyclohexane-1-carboxamide
CID 175888912
1-(3-ethylcyclohexyl)-2-propan-2-yloxyethanone
CID 79566351

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dipropylamino)cyclohexyl]-2-methoxyethanone?
The IUPAC name of 1-[3-(dipropylamino)cyclohexyl]-2-methoxyethanone (CID 57131585) is 1-[3-(dipropylamino)cyclohexyl]-2-methoxyethanone.
What is the SMILES notation for 1-[3-(dipropylamino)cyclohexyl]-2-methoxyethanone?
The canonical SMILES for 1-[3-(dipropylamino)cyclohexyl]-2-methoxyethanone is CCCN(CCC)C1CCCC(C(=O)COC)C1.
What is the InChIKey of 1-[3-(dipropylamino)cyclohexyl]-2-methoxyethanone?
The InChIKey is WSZFKTDWBPUURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-4-9-16(10-5-2)14-8-6-7-13(11-14)15(17)12-18-3/h13-14H,4-12H2,1-3H3.
What are the key properties of 1-[3-(dipropylamino)cyclohexyl]-2-methoxyethanone?
1-[3-(dipropylamino)cyclohexyl]-2-methoxyethanone has a molecular weight of 255.40 g/mol, XLogP of 2.88, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dipropylamino)cyclohexyl]-2-methoxyethanone is sourced from PubChem (CID 57131585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).