1-(3,5-dimethylcyclohexyl)-N-methyl-2-pyridin-4-ylethanamine

C16H26N2 — CID 64731111

IUPAC1-(3,5-dimethylcyclohexyl)-N-methyl-2-pyridin-4-ylethanamine
SMILESCNC(Cc1ccncc1)C1CC(C)CC(C)C1
InChIInChI=1S/C16H26N2/c1-12-8-13(2)10-15(9-12)16(17-3)11-14-4-6-18-7-5-14/h4-7,12-13,15-17H,8-11H2,1-3H3
InChIKeyOZDHZXAEDNESGI-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.28
Rot. Bonds4

About 1-(3,5-dimethylcyclohexyl)-N-methyl-2-pyridin-4-ylethanamine

1-(3,5-dimethylcyclohexyl)-N-methyl-2-pyridin-4-ylethanamine (PubChem CID 64731111) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-(3,5-dimethylcyclohexyl)-N-methyl-2-pyridin-4-ylethanamine.

Molecular Properties

Compound Name1-(3,5-dimethylcyclohexyl)-N-methyl-2-pyridin-4-ylethanamine
PubChem CID64731111
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-(3,5-dimethylcyclohexyl)-N-methyl-2-pyridin-4-ylethanamine
SMILESCNC(Cc1ccncc1)C1CC(C)CC(C)C1
InChIInChI=1S/C16H26N2/c1-12-8-13(2)10-15(9-12)16(17-3)11-14-4-6-18-7-5-14/h4-7,12-13,15-17H,8-11H2,1-3H3
InChIKeyOZDHZXAEDNESGI-UHFFFAOYSA-N
XLogP3.28
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylcyclohexyl)-N-methyl-2-pyridin-4-ylethanamine?
The IUPAC name of 1-(3,5-dimethylcyclohexyl)-N-methyl-2-pyridin-4-ylethanamine (CID 64731111) is 1-(3,5-dimethylcyclohexyl)-N-methyl-2-pyridin-4-ylethanamine.
What is the SMILES notation for 1-(3,5-dimethylcyclohexyl)-N-methyl-2-pyridin-4-ylethanamine?
The canonical SMILES for 1-(3,5-dimethylcyclohexyl)-N-methyl-2-pyridin-4-ylethanamine is CNC(Cc1ccncc1)C1CC(C)CC(C)C1.
What is the InChIKey of 1-(3,5-dimethylcyclohexyl)-N-methyl-2-pyridin-4-ylethanamine?
The InChIKey is OZDHZXAEDNESGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-12-8-13(2)10-15(9-12)16(17-3)11-14-4-6-18-7-5-14/h4-7,12-13,15-17H,8-11H2,1-3H3.
What are the key properties of 1-(3,5-dimethylcyclohexyl)-N-methyl-2-pyridin-4-ylethanamine?
1-(3,5-dimethylcyclohexyl)-N-methyl-2-pyridin-4-ylethanamine has a molecular weight of 246.40 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylcyclohexyl)-N-methyl-2-pyridin-4-ylethanamine is sourced from PubChem (CID 64731111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).