N-[(4-tert-butylcyclohexyl)methyl]-2,6-dimethylpyridin-3-amine

C18H30N2 — CID 104575186

IUPACN-[(4-tert-butylcyclohexyl)methyl]-2,6-dimethylpyridin-3-amine
SMILESCc1ccc(NCC2CCC(C(C)(C)C)CC2)c(C)n1
InChIInChI=1S/C18H30N2/c1-13-6-11-17(14(2)20-13)19-12-15-7-9-16(10-8-15)18(3,4)5/h6,11,15-16,19H,7-10,12H2,1-5H3
InChIKeyOINLBIVPINFWHW-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.96
Rot. Bonds3

About N-[(4-tert-butylcyclohexyl)methyl]-2,6-dimethylpyridin-3-amine

N-[(4-tert-butylcyclohexyl)methyl]-2,6-dimethylpyridin-3-amine (PubChem CID 104575186) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-[(4-tert-butylcyclohexyl)methyl]-2,6-dimethylpyridin-3-amine.

Molecular Properties

Compound NameN-[(4-tert-butylcyclohexyl)methyl]-2,6-dimethylpyridin-3-amine
PubChem CID104575186
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-[(4-tert-butylcyclohexyl)methyl]-2,6-dimethylpyridin-3-amine
SMILESCc1ccc(NCC2CCC(C(C)(C)C)CC2)c(C)n1
InChIInChI=1S/C18H30N2/c1-13-6-11-17(14(2)20-13)19-12-15-7-9-16(10-8-15)18(3,4)5/h6,11,15-16,19H,7-10,12H2,1-5H3
InChIKeyOINLBIVPINFWHW-UHFFFAOYSA-N
XLogP4.96
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylcyclohexyl)methyl]-2,6-dimethylpyridin-3-amine?
The IUPAC name of N-[(4-tert-butylcyclohexyl)methyl]-2,6-dimethylpyridin-3-amine (CID 104575186) is N-[(4-tert-butylcyclohexyl)methyl]-2,6-dimethylpyridin-3-amine.
What is the SMILES notation for N-[(4-tert-butylcyclohexyl)methyl]-2,6-dimethylpyridin-3-amine?
The canonical SMILES for N-[(4-tert-butylcyclohexyl)methyl]-2,6-dimethylpyridin-3-amine is Cc1ccc(NCC2CCC(C(C)(C)C)CC2)c(C)n1.
What is the InChIKey of N-[(4-tert-butylcyclohexyl)methyl]-2,6-dimethylpyridin-3-amine?
The InChIKey is OINLBIVPINFWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-13-6-11-17(14(2)20-13)19-12-15-7-9-16(10-8-15)18(3,4)5/h6,11,15-16,19H,7-10,12H2,1-5H3.
What are the key properties of N-[(4-tert-butylcyclohexyl)methyl]-2,6-dimethylpyridin-3-amine?
N-[(4-tert-butylcyclohexyl)methyl]-2,6-dimethylpyridin-3-amine has a molecular weight of 274.45 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylcyclohexyl)methyl]-2,6-dimethylpyridin-3-amine is sourced from PubChem (CID 104575186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).