N-[(3,4-dimethylcyclohexyl)-pyridin-4-ylmethyl]ethanamine

C16H26N2 — CID 64738432

IUPACN-[(3,4-dimethylcyclohexyl)-pyridin-4-ylmethyl]ethanamine
SMILESCCNC(c1ccncc1)C1CCC(C)C(C)C1
InChIInChI=1S/C16H26N2/c1-4-18-16(14-7-9-17-10-8-14)15-6-5-12(2)13(3)11-15/h7-10,12-13,15-16,18H,4-6,11H2,1-3H3
InChIKeyQCKGSCYEOHPHGD-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.80
Rot. Bonds4

About N-[(3,4-dimethylcyclohexyl)-pyridin-4-ylmethyl]ethanamine

N-[(3,4-dimethylcyclohexyl)-pyridin-4-ylmethyl]ethanamine (PubChem CID 64738432) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-[(3,4-dimethylcyclohexyl)-pyridin-4-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(3,4-dimethylcyclohexyl)-pyridin-4-ylmethyl]ethanamine
PubChem CID64738432
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-[(3,4-dimethylcyclohexyl)-pyridin-4-ylmethyl]ethanamine
SMILESCCNC(c1ccncc1)C1CCC(C)C(C)C1
InChIInChI=1S/C16H26N2/c1-4-18-16(14-7-9-17-10-8-14)15-6-5-12(2)13(3)11-15/h7-10,12-13,15-16,18H,4-6,11H2,1-3H3
InChIKeyQCKGSCYEOHPHGD-UHFFFAOYSA-N
XLogP3.80
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 ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,5-dimethylcyclohexyl)-pyridin-4-ylmethyl]ethanamine
CID 64728497
N-[(3,4-dimethylcyclohexyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 65195505
N-[(3-bromophenyl)-(3,4-dimethylcyclohexyl)methyl]ethanamine
CID 64739441
N-[(3,4-dimethylcyclohexyl)-(4-methylphenyl)methyl]propan-1-amine
CID 64740428
N-[(3,4-dimethylcyclohexyl)-(5-iodothiophen-3-yl)methyl]ethanamine
CID 104989415
N-[(3,4-dimethylcyclohexyl)-(4-iodophenyl)methyl]propan-1-amine
CID 104989552
N-[(5-bromofuran-2-yl)-(3,4-dimethylcyclohexyl)methyl]ethanamine
CID 104989489
N-[(2,6-difluoro-3-methylphenyl)-(3,4-dimethylcyclohexyl)methyl]ethanamine
CID 104989303
N-[cyclopropyl(pyridin-3-yl)methyl]ethanamine
CID 60923514
N-[(2-bromo-3,4-difluorophenyl)-(3,4-dimethylcyclohexyl)methyl]ethanamine
CID 107539367
N-[(3,4-dimethylcyclohexyl)-(3,4-dimethylphenyl)methyl]propan-1-amine
CID 104989448
2-cyclopropyl-N-ethyl-1-pyridin-4-ylethanamine
CID 64906307

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethylcyclohexyl)-pyridin-4-ylmethyl]ethanamine?
The IUPAC name of N-[(3,4-dimethylcyclohexyl)-pyridin-4-ylmethyl]ethanamine (CID 64738432) is N-[(3,4-dimethylcyclohexyl)-pyridin-4-ylmethyl]ethanamine.
What is the SMILES notation for N-[(3,4-dimethylcyclohexyl)-pyridin-4-ylmethyl]ethanamine?
The canonical SMILES for N-[(3,4-dimethylcyclohexyl)-pyridin-4-ylmethyl]ethanamine is CCNC(c1ccncc1)C1CCC(C)C(C)C1.
What is the InChIKey of N-[(3,4-dimethylcyclohexyl)-pyridin-4-ylmethyl]ethanamine?
The InChIKey is QCKGSCYEOHPHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-4-18-16(14-7-9-17-10-8-14)15-6-5-12(2)13(3)11-15/h7-10,12-13,15-16,18H,4-6,11H2,1-3H3.
What are the key properties of N-[(3,4-dimethylcyclohexyl)-pyridin-4-ylmethyl]ethanamine?
N-[(3,4-dimethylcyclohexyl)-pyridin-4-ylmethyl]ethanamine has a molecular weight of 246.40 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethylcyclohexyl)-pyridin-4-ylmethyl]ethanamine is sourced from PubChem (CID 64738432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).