N-[(4-ethylcyclohexyl)methyl]-2-pyridin-4-ylethanamine

C16H26N2 — CID 54880947

IUPACN-[(4-ethylcyclohexyl)methyl]-2-pyridin-4-ylethanamine
SMILESCCC1CCC(CNCCc2ccncc2)CC1
InChIInChI=1S/C16H26N2/c1-2-14-3-5-16(6-4-14)13-18-12-9-15-7-10-17-11-8-15/h7-8,10-11,14,16,18H,2-6,9,12-13H2,1H3
InChIKeyZBBNIAYJYRINRG-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.43
Rot. Bonds6

About N-[(4-ethylcyclohexyl)methyl]-2-pyridin-4-ylethanamine

N-[(4-ethylcyclohexyl)methyl]-2-pyridin-4-ylethanamine (PubChem CID 54880947) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-[(4-ethylcyclohexyl)methyl]-2-pyridin-4-ylethanamine.

Molecular Properties

Compound NameN-[(4-ethylcyclohexyl)methyl]-2-pyridin-4-ylethanamine
PubChem CID54880947
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-[(4-ethylcyclohexyl)methyl]-2-pyridin-4-ylethanamine
SMILESCCC1CCC(CNCCc2ccncc2)CC1
InChIInChI=1S/C16H26N2/c1-2-14-3-5-16(6-4-14)13-18-12-9-15-7-10-17-11-8-15/h7-8,10-11,14,16,18H,2-6,9,12-13H2,1H3
InChIKeyZBBNIAYJYRINRG-UHFFFAOYSA-N
XLogP3.43
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylcyclohexyl)methyl]-2-pyridin-4-ylethanamine?
The IUPAC name of N-[(4-ethylcyclohexyl)methyl]-2-pyridin-4-ylethanamine (CID 54880947) is N-[(4-ethylcyclohexyl)methyl]-2-pyridin-4-ylethanamine.
What is the SMILES notation for N-[(4-ethylcyclohexyl)methyl]-2-pyridin-4-ylethanamine?
The canonical SMILES for N-[(4-ethylcyclohexyl)methyl]-2-pyridin-4-ylethanamine is CCC1CCC(CNCCc2ccncc2)CC1.
What is the InChIKey of N-[(4-ethylcyclohexyl)methyl]-2-pyridin-4-ylethanamine?
The InChIKey is ZBBNIAYJYRINRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-2-14-3-5-16(6-4-14)13-18-12-9-15-7-10-17-11-8-15/h7-8,10-11,14,16,18H,2-6,9,12-13H2,1H3.
What are the key properties of N-[(4-ethylcyclohexyl)methyl]-2-pyridin-4-ylethanamine?
N-[(4-ethylcyclohexyl)methyl]-2-pyridin-4-ylethanamine has a molecular weight of 246.40 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylcyclohexyl)methyl]-2-pyridin-4-ylethanamine is sourced from PubChem (CID 54880947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).