4-[2-(1-methoxy-4-methylcyclohexyl)-2-(methylamino)ethyl]pyridin-2-amine

C16H27N3O — CID 116766566

IUPAC4-[2-(1-methoxy-4-methylcyclohexyl)-2-(methylamino)ethyl]pyridin-2-amine
SMILESCNC(Cc1ccnc(N)c1)C1(OC)CCC(C)CC1
InChIInChI=1S/C16H27N3O/c1-12-4-7-16(20-3,8-5-12)14(18-2)10-13-6-9-19-15(17)11-13/h6,9,11-12,14,18H,4-5,7-8,10H2,1-3H3,(H2,17,19)
InChIKeyYSDULEKCQKJGNF-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.39
Rot. Bonds5

About 4-[2-(1-methoxy-4-methylcyclohexyl)-2-(methylamino)ethyl]pyridin-2-amine

4-[2-(1-methoxy-4-methylcyclohexyl)-2-(methylamino)ethyl]pyridin-2-amine (PubChem CID 116766566) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 4-[2-(1-methoxy-4-methylcyclohexyl)-2-(methylamino)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[2-(1-methoxy-4-methylcyclohexyl)-2-(methylamino)ethyl]pyridin-2-amine
PubChem CID116766566
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name4-[2-(1-methoxy-4-methylcyclohexyl)-2-(methylamino)ethyl]pyridin-2-amine
SMILESCNC(Cc1ccnc(N)c1)C1(OC)CCC(C)CC1
InChIInChI=1S/C16H27N3O/c1-12-4-7-16(20-3,8-5-12)14(18-2)10-13-6-9-19-15(17)11-13/h6,9,11-12,14,18H,4-5,7-8,10H2,1-3H3,(H2,17,19)
InChIKeyYSDULEKCQKJGNF-UHFFFAOYSA-N
XLogP2.39
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(ethylamino)-2-(1-methoxycyclobutyl)ethyl]pyridin-2-amine
CID 116714708
2-(3-chloro-4-pyridinyl)-1-(1-methoxy-4-methylcyclohexyl)-N-methylethanamine
CID 116766528
1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methyl-2-pyridin-4-ylethanamine
CID 116769287
4-[2-[1-(diethylamino)cyclopentyl]-2-(methylamino)ethyl]pyridin-2-amine
CID 79059407
2-(3-bromothiophen-2-yl)-1-(1-methoxy-4-methylcyclohexyl)-N-methylethanamine
CID 116766449
2-(2-amino-4-pyridinyl)-1-(3-methylcyclopentyl)ethanol
CID 65401361
1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methyl-2-phenylethanamine
CID 116769301
2-(3-fluorophenyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylethanamine
CID 116767827
2-(3,4-dimethylphenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine
CID 116770211
2-(3,4-dimethylphenyl)-1-(1-methoxycyclohexyl)-N-methylethanamine
CID 116763039
4-[2-amino-2-(4-ethoxyoxan-4-yl)ethyl]pyridin-2-amine
CID 116765534
1-(1-methoxy-4-methylcyclohexyl)-2-(3-methoxyphenyl)ethanamine
CID 116766322

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-methoxy-4-methylcyclohexyl)-2-(methylamino)ethyl]pyridin-2-amine?
The IUPAC name of 4-[2-(1-methoxy-4-methylcyclohexyl)-2-(methylamino)ethyl]pyridin-2-amine (CID 116766566) is 4-[2-(1-methoxy-4-methylcyclohexyl)-2-(methylamino)ethyl]pyridin-2-amine.
What is the SMILES notation for 4-[2-(1-methoxy-4-methylcyclohexyl)-2-(methylamino)ethyl]pyridin-2-amine?
The canonical SMILES for 4-[2-(1-methoxy-4-methylcyclohexyl)-2-(methylamino)ethyl]pyridin-2-amine is CNC(Cc1ccnc(N)c1)C1(OC)CCC(C)CC1.
What is the InChIKey of 4-[2-(1-methoxy-4-methylcyclohexyl)-2-(methylamino)ethyl]pyridin-2-amine?
The InChIKey is YSDULEKCQKJGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-12-4-7-16(20-3,8-5-12)14(18-2)10-13-6-9-19-15(17)11-13/h6,9,11-12,14,18H,4-5,7-8,10H2,1-3H3,(H2,17,19).
What are the key properties of 4-[2-(1-methoxy-4-methylcyclohexyl)-2-(methylamino)ethyl]pyridin-2-amine?
4-[2-(1-methoxy-4-methylcyclohexyl)-2-(methylamino)ethyl]pyridin-2-amine has a molecular weight of 277.41 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-methoxy-4-methylcyclohexyl)-2-(methylamino)ethyl]pyridin-2-amine is sourced from PubChem (CID 116766566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).