2-cyclohexyl-N-[(2-methylpyrimidin-4-yl)methyl]cyclohexan-1-amine

C18H29N3 — CID 60962281

IUPAC2-cyclohexyl-N-[(2-methylpyrimidin-4-yl)methyl]cyclohexan-1-amine
SMILESCc1nccc(CNC2CCCCC2C2CCCCC2)n1
InChIInChI=1S/C18H29N3/c1-14-19-12-11-16(21-14)13-20-18-10-6-5-9-17(18)15-7-3-2-4-8-15/h11-12,15,17-18,20H,2-10,13H2,1H3
InChIKeyLOXFUZRUKXLNAT-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.01
Rot. Bonds4

About 2-cyclohexyl-N-[(2-methylpyrimidin-4-yl)methyl]cyclohexan-1-amine

2-cyclohexyl-N-[(2-methylpyrimidin-4-yl)methyl]cyclohexan-1-amine (PubChem CID 60962281) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 2-cyclohexyl-N-[(2-methylpyrimidin-4-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-cyclohexyl-N-[(2-methylpyrimidin-4-yl)methyl]cyclohexan-1-amine
PubChem CID60962281
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name2-cyclohexyl-N-[(2-methylpyrimidin-4-yl)methyl]cyclohexan-1-amine
SMILESCc1nccc(CNC2CCCCC2C2CCCCC2)n1
InChIInChI=1S/C18H29N3/c1-14-19-12-11-16(21-14)13-20-18-10-6-5-9-17(18)15-7-3-2-4-8-15/h11-12,15,17-18,20H,2-10,13H2,1H3
InChIKeyLOXFUZRUKXLNAT-UHFFFAOYSA-N
XLogP4.01
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methylpyrimidin-4-yl)methyl]cyclohexanamine
CID 60962032
trans-(1R,2R)-2-[(2-methylpyrimidin-4-yl)methylamino]cyclopentan-1-ol
CID 93444311
2-[(2-methylpyrimidin-4-yl)methylamino]cyclohexane-1-carbonitrile
CID 62741149
2-cyclohexyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine
CID 60961514
1-cyclohexyl-N-[(2-methylpyrimidin-4-yl)methyl]methanamine
CID 60961240
2-cyclohexyl-N-(1,3-thiazol-4-ylmethyl)cyclohexan-1-amine
CID 63830392
1-methyl-N-[(2-methylpyrimidin-4-yl)methyl]azepan-4-amine
CID 65069995
2-cyclohexyl-N-[(4-methyl-3-pyridinyl)methyl]cyclohexan-1-amine
CID 114954883
2-cyclohexyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine
CID 61015493
9-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 65471994
2-(cyclopentylamino)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide
CID 54901558
tert-butyl N-[2-[(2-methylpyrimidin-4-yl)methylamino]cyclopentyl]carbamate
CID 104844678

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[(2-methylpyrimidin-4-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 2-cyclohexyl-N-[(2-methylpyrimidin-4-yl)methyl]cyclohexan-1-amine (CID 60962281) is 2-cyclohexyl-N-[(2-methylpyrimidin-4-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 2-cyclohexyl-N-[(2-methylpyrimidin-4-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 2-cyclohexyl-N-[(2-methylpyrimidin-4-yl)methyl]cyclohexan-1-amine is Cc1nccc(CNC2CCCCC2C2CCCCC2)n1.
What is the InChIKey of 2-cyclohexyl-N-[(2-methylpyrimidin-4-yl)methyl]cyclohexan-1-amine?
The InChIKey is LOXFUZRUKXLNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-14-19-12-11-16(21-14)13-20-18-10-6-5-9-17(18)15-7-3-2-4-8-15/h11-12,15,17-18,20H,2-10,13H2,1H3.
What are the key properties of 2-cyclohexyl-N-[(2-methylpyrimidin-4-yl)methyl]cyclohexan-1-amine?
2-cyclohexyl-N-[(2-methylpyrimidin-4-yl)methyl]cyclohexan-1-amine has a molecular weight of 287.45 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[(2-methylpyrimidin-4-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 60962281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).