4-(3-methyl-2,3-dihydropyridin-6-yl)cyclohexan-1-amine

C12H20N2 — CID 144780867

IUPAC4-(3-methyl-2,3-dihydropyridin-6-yl)cyclohexan-1-amine
SMILESCC1C=CC(C2CCC(N)CC2)=NC1
InChIInChI=1S/C12H20N2/c1-9-2-7-12(14-8-9)10-3-5-11(13)6-4-10/h2,7,9-11H,3-6,8,13H2,1H3
InChIKeyZOXJXBLGWVADBM-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.15
Rot. Bonds1

About 4-(3-methyl-2,3-dihydropyridin-6-yl)cyclohexan-1-amine

4-(3-methyl-2,3-dihydropyridin-6-yl)cyclohexan-1-amine (PubChem CID 144780867) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 4-(3-methyl-2,3-dihydropyridin-6-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(3-methyl-2,3-dihydropyridin-6-yl)cyclohexan-1-amine
PubChem CID144780867
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name4-(3-methyl-2,3-dihydropyridin-6-yl)cyclohexan-1-amine
SMILESCC1C=CC(C2CCC(N)CC2)=NC1
InChIInChI=1S/C12H20N2/c1-9-2-7-12(14-8-9)10-3-5-11(13)6-4-10/h2,7,9-11H,3-6,8,13H2,1H3
InChIKeyZOXJXBLGWVADBM-UHFFFAOYSA-N
XLogP2.15
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(9E)-4-cyclohexa-1,3-dien-1-yl-9-cyclohexa-1,5-dien-1-yl-2-methyl-11-methylimino-8-[(Z)-prop-1-enyl]dodeca-1,9-dien-6-amine
CID 88992140
Cyclopropyl-(3-methyl-2,3-dihydropyridin-6-yl)methanamine
CID 91269933
1-(5-Imino-6-methylcyclohex-3-en-1-yl)ethanamine
CID 123217836
(4-Propyliminocyclohex-2-en-1-yl)methanamine
CID 123339384
(4-Butyliminocyclohex-2-en-1-yl)methanamine
CID 123602996
(4-Methyliminocyclohex-2-en-1-yl)methanamine
CID 123703590
1-[4,5-dimethyl-2-(3-methylbutan-2-yl)-3,4-dihydro-2H-pyrrol-3-yl]but-2-en-1-imine
CID 123751081
4-[(E)-5-propan-2-yliminopent-3-en-2-yl]cyclohexan-1-amine
CID 123932490
2-Propan-2-yl-4a,5,6,7,8,8a-hexahydroquinoline
CID 134228469
5-(6-Tert-butyl-2,3-dihydropyridin-3-yl)pentan-1-amine
CID 139498145
Methyl-[4-(4-methylcyclohexyl)azaniumylidenecyclohexa-2,5-dien-1-ylidene]azanium
CID 140414041
1-N-methyl-4-N-(4-methylcyclohexyl)cyclohexa-2,5-diene-1,4-diimine
CID 140414042

Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-2,3-dihydropyridin-6-yl)cyclohexan-1-amine?
The IUPAC name of 4-(3-methyl-2,3-dihydropyridin-6-yl)cyclohexan-1-amine (CID 144780867) is 4-(3-methyl-2,3-dihydropyridin-6-yl)cyclohexan-1-amine.
What is the SMILES notation for 4-(3-methyl-2,3-dihydropyridin-6-yl)cyclohexan-1-amine?
The canonical SMILES for 4-(3-methyl-2,3-dihydropyridin-6-yl)cyclohexan-1-amine is CC1C=CC(C2CCC(N)CC2)=NC1.
What is the InChIKey of 4-(3-methyl-2,3-dihydropyridin-6-yl)cyclohexan-1-amine?
The InChIKey is ZOXJXBLGWVADBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-9-2-7-12(14-8-9)10-3-5-11(13)6-4-10/h2,7,9-11H,3-6,8,13H2,1H3.
What are the key properties of 4-(3-methyl-2,3-dihydropyridin-6-yl)cyclohexan-1-amine?
4-(3-methyl-2,3-dihydropyridin-6-yl)cyclohexan-1-amine has a molecular weight of 192.31 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-2,3-dihydropyridin-6-yl)cyclohexan-1-amine is sourced from PubChem (CID 144780867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).