(3-aminocyclohexyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone

C12H20N2O — CID 104530546

IUPAC(3-aminocyclohexyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESNC1CCCC(C(=O)N2CC=CCC2)C1
InChIInChI=1S/C12H20N2O/c13-11-6-4-5-10(9-11)12(15)14-7-2-1-3-8-14/h1-2,10-11H,3-9,13H2
InChIKeyCXVVDHGKXYVEMG-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.29
Rot. Bonds1

About (3-aminocyclohexyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone

(3-aminocyclohexyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone (PubChem CID 104530546) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is (3-aminocyclohexyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone.

Molecular Properties

Compound Name(3-aminocyclohexyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
PubChem CID104530546
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name(3-aminocyclohexyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESNC1CCCC(C(=O)N2CC=CCC2)C1
InChIInChI=1S/C12H20N2O/c13-11-6-4-5-10(9-11)12(15)14-7-2-1-3-8-14/h1-2,10-11H,3-9,13H2
InChIKeyCXVVDHGKXYVEMG-UHFFFAOYSA-N
XLogP1.29
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3-aminocyclohexyl)-(azepan-1-yl)methanone
CID 62777003
(3-aminocyclohexyl)-(azepan-1-yl)methanone;hydrochloride
CID 119669540
3-(3,6-dihydro-2H-pyridine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103551261
[(1R,3S)-3-aminocyclohexyl]-(4-hydroxypiperidin-1-yl)methanone
CID 59401514
[(1R,3S)-3-aminocyclohexyl]-(4-fluoropiperidin-1-yl)methanone;hydrochloride
CID 154910496
(3-aminocyclohexyl)-morpholin-4-ylmethanone
CID 62775770
1-(3-aminocyclohexanecarbonyl)piperidine-4-carboxylic acid
CID 63046092
1-[4-(3-aminocyclohexanecarbonyl)piperazin-1-yl]ethanone;hydrochloride
CID 119399092
3-(3,6-dihydro-2H-pyridine-1-carbonyl)cyclobutane-1-carboxylic acid
CID 166178290
(3-aminocyclohexyl)-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 63046105
1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindol-2-yl-(3-aminocyclohexyl)methanone;hydrochloride
CID 119803631
[(1S,3S)-3-aminocyclopentyl]-pyrrolidin-1-ylmethanone
CID 97030843

Frequently Asked Questions

What is the IUPAC name of (3-aminocyclohexyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone?
The IUPAC name of (3-aminocyclohexyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone (CID 104530546) is (3-aminocyclohexyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone.
What is the SMILES notation for (3-aminocyclohexyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone?
The canonical SMILES for (3-aminocyclohexyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone is NC1CCCC(C(=O)N2CC=CCC2)C1.
What is the InChIKey of (3-aminocyclohexyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone?
The InChIKey is CXVVDHGKXYVEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c13-11-6-4-5-10(9-11)12(15)14-7-2-1-3-8-14/h1-2,10-11H,3-9,13H2.
What are the key properties of (3-aminocyclohexyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone?
(3-aminocyclohexyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone has a molecular weight of 208.30 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclohexyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone is sourced from PubChem (CID 104530546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).