1-cycloheptyl-2-(cyclopropylmethylamino)ethanone

C13H23NO — CID 116557770

IUPAC1-cycloheptyl-2-(cyclopropylmethylamino)ethanone
SMILESO=C(CNCC1CC1)C1CCCCCC1
InChIInChI=1S/C13H23NO/c15-13(10-14-9-11-7-8-11)12-5-3-1-2-4-6-12/h11-12,14H,1-10H2
InChIKeyPFMHTYARGBZRPS-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.53
Rot. Bonds5

About 1-cycloheptyl-2-(cyclopropylmethylamino)ethanone

1-cycloheptyl-2-(cyclopropylmethylamino)ethanone (PubChem CID 116557770) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 1-cycloheptyl-2-(cyclopropylmethylamino)ethanone.

Molecular Properties

Compound Name1-cycloheptyl-2-(cyclopropylmethylamino)ethanone
PubChem CID116557770
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name1-cycloheptyl-2-(cyclopropylmethylamino)ethanone
SMILESO=C(CNCC1CC1)C1CCCCCC1
InChIInChI=1S/C13H23NO/c15-13(10-14-9-11-7-8-11)12-5-3-1-2-4-6-12/h11-12,14H,1-10H2
InChIKeyPFMHTYARGBZRPS-UHFFFAOYSA-N
XLogP2.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cycloheptyl-2-(cyclopropylamino)ethanone
CID 116555214
1-cyclopentyl-3-(cyclopropylmethylamino)propan-2-one
CID 116557677
N-cycloheptyl-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119674667
1-(azepan-1-yl)-2-(cyclopentylmethylamino)ethanone
CID 43371059
cycloheptylmethyl 2-(cyclopropylmethylamino)acetate
CID 114248573
2-(cyclohexylmethylamino)-1-piperidin-1-ylethanone
CID 43216149
N-[[4-[(cyclopentanecarbonylamino)methyl]cyclohexyl]methyl]cyclopentanecarboxamide
CID 125471839
methyl 4-(2-cyclopentyl-2-oxoethyl)cyclohexane-1-carboxylate
CID 130283512
2-(cyclooctylmethylamino)-N-methylacetamide
CID 134293833
cyclopentylmethyl 2-(cyclopropylmethylamino)acetate
CID 66323510
(cyclononylmethylamino)methanol
CID 137465268
1-(azepan-1-yl)-2-[(4-hydroxycyclohexyl)methylamino]ethanone
CID 106133822

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-2-(cyclopropylmethylamino)ethanone?
The IUPAC name of 1-cycloheptyl-2-(cyclopropylmethylamino)ethanone (CID 116557770) is 1-cycloheptyl-2-(cyclopropylmethylamino)ethanone.
What is the SMILES notation for 1-cycloheptyl-2-(cyclopropylmethylamino)ethanone?
The canonical SMILES for 1-cycloheptyl-2-(cyclopropylmethylamino)ethanone is O=C(CNCC1CC1)C1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-2-(cyclopropylmethylamino)ethanone?
The InChIKey is PFMHTYARGBZRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c15-13(10-14-9-11-7-8-11)12-5-3-1-2-4-6-12/h11-12,14H,1-10H2.
What are the key properties of 1-cycloheptyl-2-(cyclopropylmethylamino)ethanone?
1-cycloheptyl-2-(cyclopropylmethylamino)ethanone has a molecular weight of 209.33 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-2-(cyclopropylmethylamino)ethanone is sourced from PubChem (CID 116557770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).