(2-aminocyclohexyl)-cycloheptylmethanone

C14H25NO — CID 116580013

IUPAC(2-aminocyclohexyl)-cycloheptylmethanone
SMILESNC1CCCCC1C(=O)C1CCCCCC1
InChIInChI=1S/C14H25NO/c15-13-10-6-5-9-12(13)14(16)11-7-3-1-2-4-8-11/h11-13H,1-10,15H2
InChIKeyRSDUELWBFQRQHU-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.04
Rot. Bonds2

About (2-aminocyclohexyl)-cycloheptylmethanone

(2-aminocyclohexyl)-cycloheptylmethanone (PubChem CID 116580013) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is (2-aminocyclohexyl)-cycloheptylmethanone.

Molecular Properties

Compound Name(2-aminocyclohexyl)-cycloheptylmethanone
PubChem CID116580013
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name(2-aminocyclohexyl)-cycloheptylmethanone
SMILESNC1CCCCC1C(=O)C1CCCCCC1
InChIInChI=1S/C14H25NO/c15-13-10-6-5-9-12(13)14(16)11-7-3-1-2-4-8-11/h11-13H,1-10,15H2
InChIKeyRSDUELWBFQRQHU-UHFFFAOYSA-N
XLogP3.04
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-aminocycloheptyl)-cyclopentylmethanone
CID 116595079
(2-aminocycloheptyl)-cyclopropylmethanone
CID 116595315
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
[(1S,2R)-2-(aminomethyl)cyclopentyl]-cyclohexylmethanone
CID 130649723
(4-aminooxolan-3-yl)-cyclohexylmethanone
CID 116587386
(2-aminocyclopentyl)-(oxan-3-yl)methanone
CID 107138398
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
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-aminocyclohexyl)-cycloheptylmethanone?
The IUPAC name of (2-aminocyclohexyl)-cycloheptylmethanone (CID 116580013) is (2-aminocyclohexyl)-cycloheptylmethanone.
What is the SMILES notation for (2-aminocyclohexyl)-cycloheptylmethanone?
The canonical SMILES for (2-aminocyclohexyl)-cycloheptylmethanone is NC1CCCCC1C(=O)C1CCCCCC1.
What is the InChIKey of (2-aminocyclohexyl)-cycloheptylmethanone?
The InChIKey is RSDUELWBFQRQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c15-13-10-6-5-9-12(13)14(16)11-7-3-1-2-4-8-11/h11-13H,1-10,15H2.
What are the key properties of (2-aminocyclohexyl)-cycloheptylmethanone?
(2-aminocyclohexyl)-cycloheptylmethanone has a molecular weight of 223.36 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminocyclohexyl)-cycloheptylmethanone is sourced from PubChem (CID 116580013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).