N-[(3-methylcyclohexyl)-(2-methylpyrimidin-4-yl)methyl]propan-1-amine

C16H27N3 — CID 115531004

IUPACN-[(3-methylcyclohexyl)-(2-methylpyrimidin-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccnc(C)n1)C1CCCC(C)C1
InChIInChI=1S/C16H27N3/c1-4-9-18-16(14-7-5-6-12(2)11-14)15-8-10-17-13(3)19-15/h8,10,12,14,16,18H,4-7,9,11H2,1-3H3
InChIKeyUQWIFJIYNQVQSJ-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.65
Rot. Bonds5

About N-[(3-methylcyclohexyl)-(2-methylpyrimidin-4-yl)methyl]propan-1-amine

N-[(3-methylcyclohexyl)-(2-methylpyrimidin-4-yl)methyl]propan-1-amine (PubChem CID 115531004) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[(3-methylcyclohexyl)-(2-methylpyrimidin-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-methylcyclohexyl)-(2-methylpyrimidin-4-yl)methyl]propan-1-amine
PubChem CID115531004
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN-[(3-methylcyclohexyl)-(2-methylpyrimidin-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccnc(C)n1)C1CCCC(C)C1
InChIInChI=1S/C16H27N3/c1-4-9-18-16(14-7-5-6-12(2)11-14)15-8-10-17-13(3)19-15/h8,10,12,14,16,18H,4-7,9,11H2,1-3H3
InChIKeyUQWIFJIYNQVQSJ-UHFFFAOYSA-N
XLogP3.65
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cycloheptyl-(2-methylpyrimidin-4-yl)methyl]propan-1-amine
CID 82932311
N-[(2-methylpyrimidin-4-yl)-(oxan-3-yl)methyl]propan-1-amine
CID 107136775
N-[(3-methylcyclohexyl)-(2-methyltriazol-4-yl)methyl]propan-1-amine
CID 112735849
N-[(2-ethylcyclohexyl)-(2-methylpyrimidin-4-yl)methyl]propan-1-amine
CID 115531056
[(3-ethylcyclohexyl)-(2-methylpyrimidin-4-yl)methyl]hydrazine
CID 105260496
N-[(3-methylcyclohexyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 63963526
N-[(4-bromo-2-methylphenyl)-(3-methylcyclohexyl)methyl]propan-1-amine
CID 104992020
N-[(3,4-difluorophenyl)-(3-methylcyclohexyl)methyl]propan-1-amine
CID 63415343
N-[(3-ethylthiophen-2-yl)-(3-methylcyclohexyl)methyl]propan-1-amine
CID 104992089
N-[(3-chloro-2-fluorophenyl)-(3-methylcyclohexyl)methyl]propan-1-amine
CID 64715701
N-[cyclopentyl(pyrimidin-4-yl)methyl]propan-1-amine
CID 63990209
N-[(3-iodophenyl)-(3-methylcyclohexyl)methyl]propan-1-amine
CID 104991968

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylcyclohexyl)-(2-methylpyrimidin-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3-methylcyclohexyl)-(2-methylpyrimidin-4-yl)methyl]propan-1-amine (CID 115531004) is N-[(3-methylcyclohexyl)-(2-methylpyrimidin-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-methylcyclohexyl)-(2-methylpyrimidin-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-methylcyclohexyl)-(2-methylpyrimidin-4-yl)methyl]propan-1-amine is CCCNC(c1ccnc(C)n1)C1CCCC(C)C1.
What is the InChIKey of N-[(3-methylcyclohexyl)-(2-methylpyrimidin-4-yl)methyl]propan-1-amine?
The InChIKey is UQWIFJIYNQVQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-4-9-18-16(14-7-5-6-12(2)11-14)15-8-10-17-13(3)19-15/h8,10,12,14,16,18H,4-7,9,11H2,1-3H3.
What are the key properties of N-[(3-methylcyclohexyl)-(2-methylpyrimidin-4-yl)methyl]propan-1-amine?
N-[(3-methylcyclohexyl)-(2-methylpyrimidin-4-yl)methyl]propan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylcyclohexyl)-(2-methylpyrimidin-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 115531004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).