2-tert-butyl-N-[(3-methyl-2-pyridinyl)methyl]cyclohexan-1-amine

C17H28N2 — CID 63305408

IUPAC2-tert-butyl-N-[(3-methyl-2-pyridinyl)methyl]cyclohexan-1-amine
SMILESCc1cccnc1CNC1CCCCC1C(C)(C)C
InChIInChI=1S/C17H28N2/c1-13-8-7-11-18-16(13)12-19-15-10-6-5-9-14(15)17(2,3)4/h7-8,11,14-15,19H,5-6,9-10,12H2,1-4H3
InChIKeyWMNLGVGWPHZBDW-UHFFFAOYSA-N
MW260.43 g/mol
LogP4.08
Rot. Bonds3

About 2-tert-butyl-N-[(3-methyl-2-pyridinyl)methyl]cyclohexan-1-amine

2-tert-butyl-N-[(3-methyl-2-pyridinyl)methyl]cyclohexan-1-amine (PubChem CID 63305408) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 2-tert-butyl-N-[(3-methyl-2-pyridinyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-tert-butyl-N-[(3-methyl-2-pyridinyl)methyl]cyclohexan-1-amine
PubChem CID63305408
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name2-tert-butyl-N-[(3-methyl-2-pyridinyl)methyl]cyclohexan-1-amine
SMILESCc1cccnc1CNC1CCCCC1C(C)(C)C
InChIInChI=1S/C17H28N2/c1-13-8-7-11-18-16(13)12-19-15-10-6-5-9-14(15)17(2,3)4/h7-8,11,14-15,19H,5-6,9-10,12H2,1-4H3
InChIKeyWMNLGVGWPHZBDW-UHFFFAOYSA-N
XLogP4.08
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-methyl-2-pyridinyl)methylamino]cyclohexan-1-ol
CID 63306112
trans-(1R,2R)-2-[(3-methyl-2-pyridinyl)methylamino]cyclopentan-1-ol
CID 102733463
2-(chloromethyl)-N-[(3-methyl-2-pyridinyl)methyl]cyclohexan-1-amine
CID 106365313
N-[(3-methyl-2-pyridinyl)methyl]-2-methylsulfanylcyclohexan-1-amine
CID 103782069
N-[(3-methyl-2-pyridinyl)methyl]cyclobutanamine
CID 63305574
2-[(3-methyl-2-pyridinyl)methylamino]cyclopentane-1-carbonitrile
CID 63305762
2-methyl-N-[(3-methyl-2-pyridinyl)methyl]oxolan-3-amine
CID 115338606
3-ethyl-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]cyclopentan-1-amine
CID 112650199
2-cyclopropyl-N-[(3-methyl-2-pyridinyl)methyl]oxolan-3-amine
CID 113384129
4-N-[(3-methyl-2-pyridinyl)methyl]cyclohexane-1,4-diamine
CID 79740955
2-tert-butyl-N-(2-pyridin-3-ylethyl)cyclohexan-1-amine
CID 60894469
2-tert-butyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
CID 43079272

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[(3-methyl-2-pyridinyl)methyl]cyclohexan-1-amine?
The IUPAC name of 2-tert-butyl-N-[(3-methyl-2-pyridinyl)methyl]cyclohexan-1-amine (CID 63305408) is 2-tert-butyl-N-[(3-methyl-2-pyridinyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 2-tert-butyl-N-[(3-methyl-2-pyridinyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 2-tert-butyl-N-[(3-methyl-2-pyridinyl)methyl]cyclohexan-1-amine is Cc1cccnc1CNC1CCCCC1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-N-[(3-methyl-2-pyridinyl)methyl]cyclohexan-1-amine?
The InChIKey is WMNLGVGWPHZBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-13-8-7-11-18-16(13)12-19-15-10-6-5-9-14(15)17(2,3)4/h7-8,11,14-15,19H,5-6,9-10,12H2,1-4H3.
What are the key properties of 2-tert-butyl-N-[(3-methyl-2-pyridinyl)methyl]cyclohexan-1-amine?
2-tert-butyl-N-[(3-methyl-2-pyridinyl)methyl]cyclohexan-1-amine has a molecular weight of 260.43 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[(3-methyl-2-pyridinyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 63305408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).