N-[[4-tert-butyl-2-(5-methyl-3-pyridinyl)cyclohexyl]methyl]ethanamine

C19H32N2 — CID 115375702

IUPACN-[[4-tert-butyl-2-(5-methyl-3-pyridinyl)cyclohexyl]methyl]ethanamine
SMILESCCNCC1CCC(C(C)(C)C)CC1c1cncc(C)c1
InChIInChI=1S/C19H32N2/c1-6-20-12-15-7-8-17(19(3,4)5)10-18(15)16-9-14(2)11-21-13-16/h9,11,13,15,17-18,20H,6-8,10,12H2,1-5H3
InChIKeySBVOXCORBTUVDI-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.55
Rot. Bonds4

About N-[[4-tert-butyl-2-(5-methyl-3-pyridinyl)cyclohexyl]methyl]ethanamine

N-[[4-tert-butyl-2-(5-methyl-3-pyridinyl)cyclohexyl]methyl]ethanamine (PubChem CID 115375702) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N-[[4-tert-butyl-2-(5-methyl-3-pyridinyl)cyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-tert-butyl-2-(5-methyl-3-pyridinyl)cyclohexyl]methyl]ethanamine
PubChem CID115375702
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN-[[4-tert-butyl-2-(5-methyl-3-pyridinyl)cyclohexyl]methyl]ethanamine
SMILESCCNCC1CCC(C(C)(C)C)CC1c1cncc(C)c1
InChIInChI=1S/C19H32N2/c1-6-20-12-15-7-8-17(19(3,4)5)10-18(15)16-9-14(2)11-21-13-16/h9,11,13,15,17-18,20H,6-8,10,12H2,1-5H3
InChIKeySBVOXCORBTUVDI-UHFFFAOYSA-N
XLogP4.55
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

Analyze N-[[4-tert-butyl-2-(5-methyl-3-pyridinyl)cyclohexyl]methyl]ethanamine with MolForge

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Related Compounds

N-[[4-ethyl-2-(5-methyl-3-pyridinyl)cyclohexyl]methyl]ethanamine
CID 115375685
N-[[4-tert-butyl-2-(3-chlorophenyl)cyclohexyl]methyl]ethanamine
CID 81022944
N-methyl-1-[2-(5-methyl-3-pyridinyl)-4-propylcyclohexyl]methanamine
CID 115375691
4-tert-butyl-2-(5-methyl-3-pyridinyl)cyclohexane-1-carboxylic acid
CID 115375614
1-[4-tert-butyl-2-(3,5-dimethylphenyl)cyclohexyl]-N-methylmethanamine
CID 81025372
N-[[2-(5-methyl-3-pyridinyl)cyclohexyl]methyl]propan-1-amine
CID 115375664
N-[[4-tert-butyl-2-(5-chlorothiophen-2-yl)cyclohexyl]methyl]ethanamine
CID 81031211
2-methyl-N-[[2-(5-methyl-3-pyridinyl)cycloheptyl]methyl]propan-1-amine
CID 115375678
N-[[2-(3-methylphenyl)-4-propylcyclohexyl]methyl]ethanamine
CID 81029457
N-[[2-(3,5-dimethylphenyl)cyclopentyl]methyl]ethanamine
CID 81033025
N-[(4-tert-butyl-2-cyclopentylcyclohexyl)methyl]ethanamine
CID 81031059
N-ethyl-2-(5-methyl-3-pyridinyl)cyclopentan-1-amine
CID 115375195

Frequently Asked Questions

What is the IUPAC name of N-[[4-tert-butyl-2-(5-methyl-3-pyridinyl)cyclohexyl]methyl]ethanamine?
The IUPAC name of N-[[4-tert-butyl-2-(5-methyl-3-pyridinyl)cyclohexyl]methyl]ethanamine (CID 115375702) is N-[[4-tert-butyl-2-(5-methyl-3-pyridinyl)cyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-tert-butyl-2-(5-methyl-3-pyridinyl)cyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[[4-tert-butyl-2-(5-methyl-3-pyridinyl)cyclohexyl]methyl]ethanamine is CCNCC1CCC(C(C)(C)C)CC1c1cncc(C)c1.
What is the InChIKey of N-[[4-tert-butyl-2-(5-methyl-3-pyridinyl)cyclohexyl]methyl]ethanamine?
The InChIKey is SBVOXCORBTUVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-6-20-12-15-7-8-17(19(3,4)5)10-18(15)16-9-14(2)11-21-13-16/h9,11,13,15,17-18,20H,6-8,10,12H2,1-5H3.
What are the key properties of N-[[4-tert-butyl-2-(5-methyl-3-pyridinyl)cyclohexyl]methyl]ethanamine?
N-[[4-tert-butyl-2-(5-methyl-3-pyridinyl)cyclohexyl]methyl]ethanamine has a molecular weight of 288.48 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-tert-butyl-2-(5-methyl-3-pyridinyl)cyclohexyl]methyl]ethanamine is sourced from PubChem (CID 115375702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).