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

C16H27N3 — CID 82932311

IUPACN-[cycloheptyl-(2-methylpyrimidin-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccnc(C)n1)C1CCCCCC1
InChIInChI=1S/C16H27N3/c1-3-11-18-16(14-8-6-4-5-7-9-14)15-10-12-17-13(2)19-15/h10,12,14,16,18H,3-9,11H2,1-2H3
InChIKeySEPAEIHBEXRJOY-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.80
Rot. Bonds5

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

N-[cycloheptyl-(2-methylpyrimidin-4-yl)methyl]propan-1-amine (PubChem CID 82932311) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[cycloheptyl-(2-methylpyrimidin-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cycloheptyl-(2-methylpyrimidin-4-yl)methyl]propan-1-amine
PubChem CID82932311
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN-[cycloheptyl-(2-methylpyrimidin-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccnc(C)n1)C1CCCCCC1
InChIInChI=1S/C16H27N3/c1-3-11-18-16(14-8-6-4-5-7-9-14)15-10-12-17-13(2)19-15/h10,12,14,16,18H,3-9,11H2,1-2H3
InChIKeySEPAEIHBEXRJOY-UHFFFAOYSA-N
XLogP3.80
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 ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methylcyclohexyl)-(2-methylpyrimidin-4-yl)methyl]propan-1-amine
CID 115531004
N-[(2-methylpyrimidin-4-yl)-(oxan-3-yl)methyl]propan-1-amine
CID 107136775
N-[(2-ethylcyclohexyl)-(2-methylpyrimidin-4-yl)methyl]propan-1-amine
CID 115531056
N-[cyclopentyl(pyrimidin-4-yl)methyl]propan-1-amine
CID 63990209
N-[cyclooctyl(pyrazin-2-yl)methyl]propan-1-amine
CID 80611076
N-[cyclohexyl(isoquinolin-1-yl)methyl]propan-1-amine
CID 63948456
N-[(2-methylpyrimidin-4-yl)-(oxolan-3-yl)methyl]ethanamine
CID 115530813
[(3-ethylcyclohexyl)-(2-methylpyrimidin-4-yl)methyl]hydrazine
CID 105260496
N-[cyclooctyl-(2,4-dimethylphenyl)methyl]propan-1-amine
CID 65018552
N-[cyclohexyl-(2-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 105080054
N-[cycloheptyl-(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 65399979
N-[cyclohexyl(quinolin-6-yl)methyl]propan-1-amine
CID 63095807

Frequently Asked Questions

What is the IUPAC name of N-[cycloheptyl-(2-methylpyrimidin-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[cycloheptyl-(2-methylpyrimidin-4-yl)methyl]propan-1-amine (CID 82932311) is N-[cycloheptyl-(2-methylpyrimidin-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[cycloheptyl-(2-methylpyrimidin-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[cycloheptyl-(2-methylpyrimidin-4-yl)methyl]propan-1-amine is CCCNC(c1ccnc(C)n1)C1CCCCCC1.
What is the InChIKey of N-[cycloheptyl-(2-methylpyrimidin-4-yl)methyl]propan-1-amine?
The InChIKey is SEPAEIHBEXRJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-3-11-18-16(14-8-6-4-5-7-9-14)15-10-12-17-13(2)19-15/h10,12,14,16,18H,3-9,11H2,1-2H3.
What are the key properties of N-[cycloheptyl-(2-methylpyrimidin-4-yl)methyl]propan-1-amine?
N-[cycloheptyl-(2-methylpyrimidin-4-yl)methyl]propan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cycloheptyl-(2-methylpyrimidin-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 82932311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).