(2-aminocycloheptyl)-cyclopropylmethanone

C11H19NO — CID 116595315

IUPAC(2-aminocycloheptyl)-cyclopropylmethanone
SMILESNC1CCCCCC1C(=O)C1CC1
InChIInChI=1S/C11H19NO/c12-10-5-3-1-2-4-9(10)11(13)8-6-7-8/h8-10H,1-7,12H2
InChIKeyMWFQPQPIQZEMEN-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.87
Rot. Bonds2

About (2-aminocycloheptyl)-cyclopropylmethanone

(2-aminocycloheptyl)-cyclopropylmethanone (PubChem CID 116595315) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (2-aminocycloheptyl)-cyclopropylmethanone.

Molecular Properties

Compound Name(2-aminocycloheptyl)-cyclopropylmethanone
PubChem CID116595315
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(2-aminocycloheptyl)-cyclopropylmethanone
SMILESNC1CCCCCC1C(=O)C1CC1
InChIInChI=1S/C11H19NO/c12-10-5-3-1-2-4-9(10)11(13)8-6-7-8/h8-10H,1-7,12H2
InChIKeyMWFQPQPIQZEMEN-UHFFFAOYSA-N
XLogP1.87
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-aminocycloheptyl)-cyclopentylmethanone
CID 116595079
(2-aminocyclohexyl)-cycloheptylmethanone
CID 116580013
cis-(1R,2S)-2-aminocycloheptane-1-carboxylic acid;cis-(1S,2R)-2-aminocycloheptane-1-carboxylic acid
CID 127239829
trans-(1R,2R)-2-aminocycloheptane-1-carboxamide
CID 95970217
trans-(1S,2S)-2-aminocycloheptane-1-carboxylic acid;hydrochloride
CID 131632809
cis-(1R,2S)-2-aminocyclohexane-1-carboxylic acid
CID 2724639
cis-(1R,2S)-2-aminocyclohexane-1-carboxylic acid;hydrobromide
CID 24751167
(2-aminocyclopentyl)-(oxan-3-yl)methanone
CID 107138398
[(1S,2R)-2-(aminomethyl)cyclopentyl]-cyclohexylmethanone
CID 130649723
(4-aminooxolan-3-yl)-cyclohexylmethanone
CID 116587386
1-(2-aminocyclohexyl)ethanone;ethane
CID 176999507
1-[(1R)-2-aminocyclohexyl]ethanone;hydrobromide
CID 90964979

Frequently Asked Questions

What is the IUPAC name of (2-aminocycloheptyl)-cyclopropylmethanone?
The IUPAC name of (2-aminocycloheptyl)-cyclopropylmethanone (CID 116595315) is (2-aminocycloheptyl)-cyclopropylmethanone.
What is the SMILES notation for (2-aminocycloheptyl)-cyclopropylmethanone?
The canonical SMILES for (2-aminocycloheptyl)-cyclopropylmethanone is NC1CCCCCC1C(=O)C1CC1.
What is the InChIKey of (2-aminocycloheptyl)-cyclopropylmethanone?
The InChIKey is MWFQPQPIQZEMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c12-10-5-3-1-2-4-9(10)11(13)8-6-7-8/h8-10H,1-7,12H2.
What are the key properties of (2-aminocycloheptyl)-cyclopropylmethanone?
(2-aminocycloheptyl)-cyclopropylmethanone has a molecular weight of 181.28 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminocycloheptyl)-cyclopropylmethanone is sourced from PubChem (CID 116595315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).