N-[(1-ethoxycyclohexyl)-(5-methyl-3-pyridinyl)methyl]ethanamine

C17H28N2O — CID 116764137

IUPACN-[(1-ethoxycyclohexyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
SMILESCCNC(c1cncc(C)c1)C1(OCC)CCCCC1
InChIInChI=1S/C17H28N2O/c1-4-19-16(15-11-14(3)12-18-13-15)17(20-5-2)9-7-6-8-10-17/h11-13,16,19H,4-10H2,1-3H3
InChIKeyZSYLCUSEJCWBCB-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.78
Rot. Bonds6

About N-[(1-ethoxycyclohexyl)-(5-methyl-3-pyridinyl)methyl]ethanamine

N-[(1-ethoxycyclohexyl)-(5-methyl-3-pyridinyl)methyl]ethanamine (PubChem CID 116764137) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[(1-ethoxycyclohexyl)-(5-methyl-3-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-ethoxycyclohexyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
PubChem CID116764137
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[(1-ethoxycyclohexyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
SMILESCCNC(c1cncc(C)c1)C1(OCC)CCCCC1
InChIInChI=1S/C17H28N2O/c1-4-19-16(15-11-14(3)12-18-13-15)17(20-5-2)9-7-6-8-10-17/h11-13,16,19H,4-10H2,1-3H3
InChIKeyZSYLCUSEJCWBCB-UHFFFAOYSA-N
XLogP3.78
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methoxycyclohexyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 116763272
N-[(1-methoxycyclopentyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 113432853
N-[(1-ethoxycyclohexyl)-(3-methylphenyl)methyl]ethanamine
CID 116764104
(1-ethoxycyclohexyl)-(5-methyl-3-pyridinyl)methanol
CID 116753621
N-[(1-ethoxycycloheptyl)-(4-methylphenyl)methyl]ethanamine
CID 116771044
N-[(1-methylcyclopropyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 115374920
N-[(4-ethoxyoxan-4-yl)-(5-fluoro-3-pyridinyl)methyl]ethanamine
CID 116765908
N-[(3,4-dimethylphenyl)-(1-ethoxycyclopentyl)methyl]ethanamine
CID 116762306
1-(1-ethoxycycloheptyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
CID 116770894
[(1-ethoxycycloheptyl)-(5-fluoro-3-pyridinyl)methyl]hydrazine
CID 105278498
N-[(1-ethoxycyclopentyl)-phenylmethyl]ethanamine
CID 116762125
[(1-methoxycyclohexyl)-(5-methyl-3-pyridinyl)methyl]hydrazine
CID 105275994

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethoxycyclohexyl)-(5-methyl-3-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[(1-ethoxycyclohexyl)-(5-methyl-3-pyridinyl)methyl]ethanamine (CID 116764137) is N-[(1-ethoxycyclohexyl)-(5-methyl-3-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[(1-ethoxycyclohexyl)-(5-methyl-3-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[(1-ethoxycyclohexyl)-(5-methyl-3-pyridinyl)methyl]ethanamine is CCNC(c1cncc(C)c1)C1(OCC)CCCCC1.
What is the InChIKey of N-[(1-ethoxycyclohexyl)-(5-methyl-3-pyridinyl)methyl]ethanamine?
The InChIKey is ZSYLCUSEJCWBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-19-16(15-11-14(3)12-18-13-15)17(20-5-2)9-7-6-8-10-17/h11-13,16,19H,4-10H2,1-3H3.
What are the key properties of N-[(1-ethoxycyclohexyl)-(5-methyl-3-pyridinyl)methyl]ethanamine?
N-[(1-ethoxycyclohexyl)-(5-methyl-3-pyridinyl)methyl]ethanamine has a molecular weight of 276.42 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethoxycyclohexyl)-(5-methyl-3-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 116764137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).