N-[(2-cyclohexylpyrimidin-4-yl)methyl]cyclopropanamine

C14H21N3 — CID 55114202

IUPACN-[(2-cyclohexylpyrimidin-4-yl)methyl]cyclopropanamine
SMILESc1cc(CNC2CC2)nc(C2CCCCC2)n1
InChIInChI=1S/C14H21N3/c1-2-4-11(5-3-1)14-15-9-8-13(17-14)10-16-12-6-7-12/h8-9,11-12,16H,1-7,10H2
InChIKeyFZEMCPMEHUPVGZ-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.78
Rot. Bonds4

About N-[(2-cyclohexylpyrimidin-4-yl)methyl]cyclopropanamine

N-[(2-cyclohexylpyrimidin-4-yl)methyl]cyclopropanamine (PubChem CID 55114202) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is N-[(2-cyclohexylpyrimidin-4-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(2-cyclohexylpyrimidin-4-yl)methyl]cyclopropanamine
PubChem CID55114202
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC NameN-[(2-cyclohexylpyrimidin-4-yl)methyl]cyclopropanamine
SMILESc1cc(CNC2CC2)nc(C2CCCCC2)n1
InChIInChI=1S/C14H21N3/c1-2-4-11(5-3-1)14-15-9-8-13(17-14)10-16-12-6-7-12/h8-9,11-12,16H,1-7,10H2
InChIKeyFZEMCPMEHUPVGZ-UHFFFAOYSA-N
XLogP2.78
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-cyclohexylpyrimidin-4-yl)-N-methylmethanamine
CID 62747376
N-[[2-(oxolan-2-yl)pyrimidin-4-yl]methyl]cyclopropanamine
CID 65328671
N-[(2-methylpyrimidin-4-yl)methyl]cyclohexanamine
CID 60962032
1-(2-cyclobutylpyrimidin-4-yl)-N-methylmethanamine
CID 64985841
2-cyclododecyl-4-ethylpyrimidine
CID 134492338
N-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-yl]methyl]cyclopropanamine
CID 65405051
N-[(2-cycloheptyl-6-methylpyrimidin-4-yl)methyl]cyclopropanamine
CID 65399678
N-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]cyclobutanamine
CID 141342009
N-[[2-(4-propan-2-ylcyclohexyl)pyrimidin-4-yl]methyl]propan-2-amine
CID 65402599
(2-cyclohexylpyrimidin-4-yl)hydrazine
CID 62251636
N-[[2-(1-methoxycyclohexyl)pyrimidin-4-yl]methyl]cyclopropanamine
CID 116778544
N-(quinolin-2-ylmethyl)cyclohexanamine
CID 28774764

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclohexylpyrimidin-4-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(2-cyclohexylpyrimidin-4-yl)methyl]cyclopropanamine (CID 55114202) is N-[(2-cyclohexylpyrimidin-4-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(2-cyclohexylpyrimidin-4-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(2-cyclohexylpyrimidin-4-yl)methyl]cyclopropanamine is c1cc(CNC2CC2)nc(C2CCCCC2)n1.
What is the InChIKey of N-[(2-cyclohexylpyrimidin-4-yl)methyl]cyclopropanamine?
The InChIKey is FZEMCPMEHUPVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-2-4-11(5-3-1)14-15-9-8-13(17-14)10-16-12-6-7-12/h8-9,11-12,16H,1-7,10H2.
What are the key properties of N-[(2-cyclohexylpyrimidin-4-yl)methyl]cyclopropanamine?
N-[(2-cyclohexylpyrimidin-4-yl)methyl]cyclopropanamine has a molecular weight of 231.34 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclohexylpyrimidin-4-yl)methyl]cyclopropanamine is sourced from PubChem (CID 55114202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).