N-[1-(2-cyclohexyl-4-methylpyrimidin-5-yl)ethyl]propan-1-amine

C16H27N3 — CID 62771560

IUPACN-[1-(2-cyclohexyl-4-methylpyrimidin-5-yl)ethyl]propan-1-amine
SMILESCCCNC(C)c1cnc(C2CCCCC2)nc1C
InChIInChI=1S/C16H27N3/c1-4-10-17-12(2)15-11-18-16(19-13(15)3)14-8-6-5-7-9-14/h11-12,14,17H,4-10H2,1-3H3
InChIKeyAESRIDCFOKQYRM-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.89
Rot. Bonds5

About N-[1-(2-cyclohexyl-4-methylpyrimidin-5-yl)ethyl]propan-1-amine

N-[1-(2-cyclohexyl-4-methylpyrimidin-5-yl)ethyl]propan-1-amine (PubChem CID 62771560) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[1-(2-cyclohexyl-4-methylpyrimidin-5-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2-cyclohexyl-4-methylpyrimidin-5-yl)ethyl]propan-1-amine
PubChem CID62771560
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN-[1-(2-cyclohexyl-4-methylpyrimidin-5-yl)ethyl]propan-1-amine
SMILESCCCNC(C)c1cnc(C2CCCCC2)nc1C
InChIInChI=1S/C16H27N3/c1-4-10-17-12(2)15-11-18-16(19-13(15)3)14-8-6-5-7-9-14/h11-12,14,17H,4-10H2,1-3H3
InChIKeyAESRIDCFOKQYRM-UHFFFAOYSA-N
XLogP3.89
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 ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-[4-methyl-2-(3-methylcyclopentyl)pyrimidin-5-yl]ethanamine
CID 65414648
1-[4-methyl-2-(4-propylcyclohexyl)pyrimidin-5-yl]ethanamine
CID 65401995
N,N,4-trimethyl-5-[1-(propylamino)ethyl]pyrimidin-2-amine
CID 62770147
N-[1-(2-cyclooctyl-4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 80610580
(2-cyclohexyl-4-methylpyrimidin-5-yl)methanamine
CID 82506978
N-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine
CID 63349207
N-[2-(2-cycloheptyl-4,6-dimethylpyrimidin-5-yl)ethyl]propan-2-amine
CID 65399366
5-bromo-2-cyclopentyl-N-propylpyrimidin-4-amine
CID 66302677
2-cyclopentyl-5-iodo-N-propylpyrimidin-4-amine
CID 66303133
N-[1-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]ethyl]propan-1-amine
CID 62769429
2-cyclohexyl-5,6-dimethyl-N-propylpyrimidin-4-amine
CID 63485968
2-cyclopentyl-6-methyl-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 63484737

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-cyclohexyl-4-methylpyrimidin-5-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(2-cyclohexyl-4-methylpyrimidin-5-yl)ethyl]propan-1-amine (CID 62771560) is N-[1-(2-cyclohexyl-4-methylpyrimidin-5-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2-cyclohexyl-4-methylpyrimidin-5-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(2-cyclohexyl-4-methylpyrimidin-5-yl)ethyl]propan-1-amine is CCCNC(C)c1cnc(C2CCCCC2)nc1C.
What is the InChIKey of N-[1-(2-cyclohexyl-4-methylpyrimidin-5-yl)ethyl]propan-1-amine?
The InChIKey is AESRIDCFOKQYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-4-10-17-12(2)15-11-18-16(19-13(15)3)14-8-6-5-7-9-14/h11-12,14,17H,4-10H2,1-3H3.
What are the key properties of N-[1-(2-cyclohexyl-4-methylpyrimidin-5-yl)ethyl]propan-1-amine?
N-[1-(2-cyclohexyl-4-methylpyrimidin-5-yl)ethyl]propan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-cyclohexyl-4-methylpyrimidin-5-yl)ethyl]propan-1-amine is sourced from PubChem (CID 62771560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).