N-[[4-ethyl-2-(4-methyl-3-pyridinyl)cyclohexyl]methyl]-2-methylpropan-1-amine

C19H32N2 — CID 81032734

IUPACN-[[4-ethyl-2-(4-methyl-3-pyridinyl)cyclohexyl]methyl]-2-methylpropan-1-amine
SMILESCCC1CCC(CNCC(C)C)C(c2cnccc2C)C1
InChIInChI=1S/C19H32N2/c1-5-16-6-7-17(12-21-11-14(2)3)18(10-16)19-13-20-9-8-15(19)4/h8-9,13-14,16-18,21H,5-7,10-12H2,1-4H3
InChIKeyOKILCGIRTXDJPG-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.55
Rot. Bonds6

About N-[[4-ethyl-2-(4-methyl-3-pyridinyl)cyclohexyl]methyl]-2-methylpropan-1-amine

N-[[4-ethyl-2-(4-methyl-3-pyridinyl)cyclohexyl]methyl]-2-methylpropan-1-amine (PubChem CID 81032734) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N-[[4-ethyl-2-(4-methyl-3-pyridinyl)cyclohexyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-ethyl-2-(4-methyl-3-pyridinyl)cyclohexyl]methyl]-2-methylpropan-1-amine
PubChem CID81032734
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN-[[4-ethyl-2-(4-methyl-3-pyridinyl)cyclohexyl]methyl]-2-methylpropan-1-amine
SMILESCCC1CCC(CNCC(C)C)C(c2cnccc2C)C1
InChIInChI=1S/C19H32N2/c1-5-16-6-7-17(12-21-11-14(2)3)18(10-16)19-13-20-9-8-15(19)4/h8-9,13-14,16-18,21H,5-7,10-12H2,1-4H3
InChIKeyOKILCGIRTXDJPG-UHFFFAOYSA-N
XLogP4.55
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-ethyl-2-pyrimidin-5-ylcyclohexyl)methyl]-2-methylpropan-1-amine
CID 81029959
N-[[2-(4-methyl-3-pyridinyl)cyclopentyl]methyl]propan-1-amine
CID 81034471
2-methyl-N-[(4-methyl-2-pyrazin-2-ylcyclohexyl)methyl]propan-1-amine
CID 81031315
N-[[2-[(3-bromothiophen-2-yl)methyl]-4-ethylcyclohexyl]methyl]-2-methylpropan-1-amine
CID 81034192
N-[[4-ethyl-2-(5-methyl-3-pyridinyl)cyclohexyl]methyl]ethanamine
CID 115375685
N-[(2-butyl-4-ethylcyclohexyl)methyl]-2-methylpropan-1-amine
CID 81029219
2-methyl-N-[[2-(pyridin-3-ylmethyl)cyclobutyl]methyl]propan-1-amine
CID 104737366
N-[[2-(2,5-dimethylphenyl)-4-ethylcyclohexyl]methyl]cyclopropanamine
CID 81032528
N-[[2-[(3-chloro-4-pyridinyl)methyl]-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine
CID 81034599
N-[[2-(1,4-dimethylpyrazol-5-yl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 112742437
2-methyl-N-[[2-(4-methyl-3-pyridinyl)cyclopentyl]methyl]propan-2-amine
CID 81027530
2-methyl-N-[[2-(1,3-thiazol-5-ylmethyl)cyclobutyl]methyl]propan-1-amine
CID 112645563

Frequently Asked Questions

What is the IUPAC name of N-[[4-ethyl-2-(4-methyl-3-pyridinyl)cyclohexyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[4-ethyl-2-(4-methyl-3-pyridinyl)cyclohexyl]methyl]-2-methylpropan-1-amine (CID 81032734) is N-[[4-ethyl-2-(4-methyl-3-pyridinyl)cyclohexyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[4-ethyl-2-(4-methyl-3-pyridinyl)cyclohexyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[4-ethyl-2-(4-methyl-3-pyridinyl)cyclohexyl]methyl]-2-methylpropan-1-amine is CCC1CCC(CNCC(C)C)C(c2cnccc2C)C1.
What is the InChIKey of N-[[4-ethyl-2-(4-methyl-3-pyridinyl)cyclohexyl]methyl]-2-methylpropan-1-amine?
The InChIKey is OKILCGIRTXDJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-5-16-6-7-17(12-21-11-14(2)3)18(10-16)19-13-20-9-8-15(19)4/h8-9,13-14,16-18,21H,5-7,10-12H2,1-4H3.
What are the key properties of N-[[4-ethyl-2-(4-methyl-3-pyridinyl)cyclohexyl]methyl]-2-methylpropan-1-amine?
N-[[4-ethyl-2-(4-methyl-3-pyridinyl)cyclohexyl]methyl]-2-methylpropan-1-amine has a molecular weight of 288.48 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-ethyl-2-(4-methyl-3-pyridinyl)cyclohexyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 81032734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).