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

C16H26N2 — CID 65392039

IUPACN-[(4,4-dimethylcyclohexyl)-pyridin-3-ylmethyl]ethanamine
SMILESCCNC(c1cccnc1)C1CCC(C)(C)CC1
InChIInChI=1S/C16H26N2/c1-4-18-15(14-6-5-11-17-12-14)13-7-9-16(2,3)10-8-13/h5-6,11-13,15,18H,4,7-10H2,1-3H3
InChIKeyNLDYUOHVNGFOOH-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.95
Rot. Bonds4

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

N-[(4,4-dimethylcyclohexyl)-pyridin-3-ylmethyl]ethanamine (PubChem CID 65392039) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-[(4,4-dimethylcyclohexyl)-pyridin-3-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(4,4-dimethylcyclohexyl)-pyridin-3-ylmethyl]ethanamine
PubChem CID65392039
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-[(4,4-dimethylcyclohexyl)-pyridin-3-ylmethyl]ethanamine
SMILESCCNC(c1cccnc1)C1CCC(C)(C)CC1
InChIInChI=1S/C16H26N2/c1-4-18-15(14-6-5-11-17-12-14)13-7-9-16(2,3)10-8-13/h5-6,11-13,15,18H,4,7-10H2,1-3H3
InChIKeyNLDYUOHVNGFOOH-UHFFFAOYSA-N
XLogP3.95
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 ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyclopropyl(pyridin-3-yl)methyl]ethanamine
CID 60923514
N-[3-bicyclo[3.1.0]hexanyl(pyridin-3-yl)methyl]ethanamine
CID 115799190
N-[(3,5-dimethylcyclohexyl)-pyridin-3-ylmethyl]ethanamine
CID 64731500
N-[(4,4-dimethylcyclohexyl)-(5-fluoro-3-pyridinyl)methyl]ethanamine
CID 65392232
N-[6-bicyclo[3.1.0]hexanyl(pyridin-3-yl)methyl]ethanamine
CID 115799612
N-[7-bicyclo[4.1.0]heptanyl(pyridin-3-yl)methyl]ethanamine
CID 115798984
N-[(3,4-dichlorophenyl)-(4,4-dimethylcyclohexyl)methyl]ethanamine
CID 65392424
N-[(4,4-dimethylcyclohexyl)-(4-propylphenyl)methyl]ethanamine
CID 65390054
N-[(4-propylcyclohexyl)-pyridin-3-ylmethyl]propan-1-amine
CID 65425134
N-[(3-methylcyclopentyl)-pyridin-3-ylmethyl]propan-1-amine
CID 65413186
N-[(4,4-dimethylcyclohexyl)-(furan-2-yl)methyl]ethanamine
CID 65390247
[cyclopropyl(pyridin-3-yl)methyl]hydrazine
CID 89323342

Frequently Asked Questions

What is the IUPAC name of N-[(4,4-dimethylcyclohexyl)-pyridin-3-ylmethyl]ethanamine?
The IUPAC name of N-[(4,4-dimethylcyclohexyl)-pyridin-3-ylmethyl]ethanamine (CID 65392039) is N-[(4,4-dimethylcyclohexyl)-pyridin-3-ylmethyl]ethanamine.
What is the SMILES notation for N-[(4,4-dimethylcyclohexyl)-pyridin-3-ylmethyl]ethanamine?
The canonical SMILES for N-[(4,4-dimethylcyclohexyl)-pyridin-3-ylmethyl]ethanamine is CCNC(c1cccnc1)C1CCC(C)(C)CC1.
What is the InChIKey of N-[(4,4-dimethylcyclohexyl)-pyridin-3-ylmethyl]ethanamine?
The InChIKey is NLDYUOHVNGFOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-4-18-15(14-6-5-11-17-12-14)13-7-9-16(2,3)10-8-13/h5-6,11-13,15,18H,4,7-10H2,1-3H3.
What are the key properties of N-[(4,4-dimethylcyclohexyl)-pyridin-3-ylmethyl]ethanamine?
N-[(4,4-dimethylcyclohexyl)-pyridin-3-ylmethyl]ethanamine has a molecular weight of 246.40 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,4-dimethylcyclohexyl)-pyridin-3-ylmethyl]ethanamine is sourced from PubChem (CID 65392039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).