1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methyl-2-pyridin-2-ylethanamine

C17H28N2O — CID 116769249

IUPAC1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methyl-2-pyridin-2-ylethanamine
SMILESCNC(Cc1ccccn1)C1(OC)CCC(C)(C)CC1
InChIInChI=1S/C17H28N2O/c1-16(2)8-10-17(20-4,11-9-16)15(18-3)13-14-7-5-6-12-19-14/h5-7,12,15,18H,8-11,13H2,1-4H3
InChIKeyBEQMRXSCSHTSBV-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.20
Rot. Bonds5

About 1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methyl-2-pyridin-2-ylethanamine

1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methyl-2-pyridin-2-ylethanamine (PubChem CID 116769249) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methyl-2-pyridin-2-ylethanamine.

Molecular Properties

Compound Name1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methyl-2-pyridin-2-ylethanamine
PubChem CID116769249
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methyl-2-pyridin-2-ylethanamine
SMILESCNC(Cc1ccccn1)C1(OC)CCC(C)(C)CC1
InChIInChI=1S/C17H28N2O/c1-16(2)8-10-17(20-4,11-9-16)15(18-3)13-14-7-5-6-12-19-14/h5-7,12,15,18H,8-11,13H2,1-4H3
InChIKeyBEQMRXSCSHTSBV-UHFFFAOYSA-N
XLogP3.20
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methyl-2-phenylethanamine
CID 116769301
1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methyl-2-pyridin-4-ylethanamine
CID 116769287
2-(3-chloro-4-pyridinyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylethanamine
CID 116769462
1-(1-methoxycyclopentyl)-2-pyridin-2-ylethanol
CID 104610358
3-[(1-methoxy-4,4-dimethylcyclohexyl)-(methylamino)methyl]pyridin-2-amine
CID 116769486
1-cyclopropyl-N-methyl-2-pyridin-2-ylethanamine
CID 63352689
(1S)-1-(1-methylcyclopropyl)-2-pyridin-2-ylethanamine
CID 135132633
1-cyclohexyl-N-methyl-2-pyridin-2-ylethanamine
CID 60819908
1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
CID 116768734
1-(1-methoxycyclohexyl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
CID 116762857
3-methoxy-N-methyl-1-pyridin-2-ylpentan-2-amine
CID 116715417
2-(3-chloro-4-pyridinyl)-1-(1-methoxy-4-methylcyclohexyl)-N-methylethanamine
CID 116766528

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methyl-2-pyridin-2-ylethanamine?
The IUPAC name of 1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methyl-2-pyridin-2-ylethanamine (CID 116769249) is 1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methyl-2-pyridin-2-ylethanamine.
What is the SMILES notation for 1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methyl-2-pyridin-2-ylethanamine?
The canonical SMILES for 1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methyl-2-pyridin-2-ylethanamine is CNC(Cc1ccccn1)C1(OC)CCC(C)(C)CC1.
What is the InChIKey of 1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methyl-2-pyridin-2-ylethanamine?
The InChIKey is BEQMRXSCSHTSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-16(2)8-10-17(20-4,11-9-16)15(18-3)13-14-7-5-6-12-19-14/h5-7,12,15,18H,8-11,13H2,1-4H3.
What are the key properties of 1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methyl-2-pyridin-2-ylethanamine?
1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methyl-2-pyridin-2-ylethanamine has a molecular weight of 276.42 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methyl-2-pyridin-2-ylethanamine is sourced from PubChem (CID 116769249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).