2-tert-butyl-N-(2-pyridin-3-ylethyl)cyclohexan-1-amine

C17H28N2 — CID 60894469

IUPAC2-tert-butyl-N-(2-pyridin-3-ylethyl)cyclohexan-1-amine
SMILESCC(C)(C)C1CCCCC1NCCc1cccnc1
InChIInChI=1S/C17H28N2/c1-17(2,3)15-8-4-5-9-16(15)19-12-10-14-7-6-11-18-13-14/h6-7,11,13,15-16,19H,4-5,8-10,12H2,1-3H3
InChIKeyNYMNLBVGVMOYFG-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.82
Rot. Bonds4

About 2-tert-butyl-N-(2-pyridin-3-ylethyl)cyclohexan-1-amine

2-tert-butyl-N-(2-pyridin-3-ylethyl)cyclohexan-1-amine (PubChem CID 60894469) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 2-tert-butyl-N-(2-pyridin-3-ylethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-tert-butyl-N-(2-pyridin-3-ylethyl)cyclohexan-1-amine
PubChem CID60894469
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name2-tert-butyl-N-(2-pyridin-3-ylethyl)cyclohexan-1-amine
SMILESCC(C)(C)C1CCCCC1NCCc1cccnc1
InChIInChI=1S/C17H28N2/c1-17(2,3)15-8-4-5-9-16(15)19-12-10-14-7-6-11-18-13-14/h6-7,11,13,15-16,19H,4-5,8-10,12H2,1-3H3
InChIKeyNYMNLBVGVMOYFG-UHFFFAOYSA-N
XLogP3.82
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methylsulfanyl-N-(2-pyridin-3-ylethyl)cyclohexan-1-amine
CID 103777301
4-[2-[(2-tert-butylcyclohexyl)amino]ethyl]phenol
CID 61236716
N-(2-tert-butylcyclohexyl)pyridin-3-amine
CID 43094868
N-propyl-2-(pyridin-3-ylmethyl)cyclopentan-1-amine
CID 104736957
N-(cyclopentylmethyl)-2-pyridin-3-ylethanamine
CID 61344810
N-(2-pyridin-3-ylethyl)oxepan-4-amine
CID 65082158
2-tert-butyl-N-[(3-methyl-2-pyridinyl)methyl]cyclohexan-1-amine
CID 63305408
3-(2-pyridin-3-ylethylamino)azepan-2-one
CID 60914794
N-(2-pyridin-3-ylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 60894294
N-(2-pyridin-3-ylethyl)thian-3-amine
CID 62871449
N-[(2-methylcyclohexyl)methyl]-2-pyridin-3-ylethanamine
CID 63265124
1-(2-hydroxycyclohexyl)-3-(2-pyridin-3-ylethyl)urea
CID 110933231

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-(2-pyridin-3-ylethyl)cyclohexan-1-amine?
The IUPAC name of 2-tert-butyl-N-(2-pyridin-3-ylethyl)cyclohexan-1-amine (CID 60894469) is 2-tert-butyl-N-(2-pyridin-3-ylethyl)cyclohexan-1-amine.
What is the SMILES notation for 2-tert-butyl-N-(2-pyridin-3-ylethyl)cyclohexan-1-amine?
The canonical SMILES for 2-tert-butyl-N-(2-pyridin-3-ylethyl)cyclohexan-1-amine is CC(C)(C)C1CCCCC1NCCc1cccnc1.
What is the InChIKey of 2-tert-butyl-N-(2-pyridin-3-ylethyl)cyclohexan-1-amine?
The InChIKey is NYMNLBVGVMOYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-17(2,3)15-8-4-5-9-16(15)19-12-10-14-7-6-11-18-13-14/h6-7,11,13,15-16,19H,4-5,8-10,12H2,1-3H3.
What are the key properties of 2-tert-butyl-N-(2-pyridin-3-ylethyl)cyclohexan-1-amine?
2-tert-butyl-N-(2-pyridin-3-ylethyl)cyclohexan-1-amine has a molecular weight of 260.43 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-(2-pyridin-3-ylethyl)cyclohexan-1-amine is sourced from PubChem (CID 60894469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).