N-[(3,5-dimethylcyclohexyl)-pyrimidin-5-ylmethyl]ethanamine

C15H25N3 — CID 102923487

IUPACN-[(3,5-dimethylcyclohexyl)-pyrimidin-5-ylmethyl]ethanamine
SMILESCCNC(c1cncnc1)C1CC(C)CC(C)C1
InChIInChI=1S/C15H25N3/c1-4-18-15(14-8-16-10-17-9-14)13-6-11(2)5-12(3)7-13/h8-13,15,18H,4-7H2,1-3H3
InChIKeyJIQHPVRCNVAHFQ-UHFFFAOYSA-N
MW247.39 g/mol
LogP3.20
Rot. Bonds4

About N-[(3,5-dimethylcyclohexyl)-pyrimidin-5-ylmethyl]ethanamine

N-[(3,5-dimethylcyclohexyl)-pyrimidin-5-ylmethyl]ethanamine (PubChem CID 102923487) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is N-[(3,5-dimethylcyclohexyl)-pyrimidin-5-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(3,5-dimethylcyclohexyl)-pyrimidin-5-ylmethyl]ethanamine
PubChem CID102923487
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC NameN-[(3,5-dimethylcyclohexyl)-pyrimidin-5-ylmethyl]ethanamine
SMILESCCNC(c1cncnc1)C1CC(C)CC(C)C1
InChIInChI=1S/C15H25N3/c1-4-18-15(14-8-16-10-17-9-14)13-6-11(2)5-12(3)7-13/h8-13,15,18H,4-7H2,1-3H3
InChIKeyJIQHPVRCNVAHFQ-UHFFFAOYSA-N
XLogP3.20
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-bicyclo[3.1.0]hexanyl(pyrimidin-5-yl)methyl]ethanamine
CID 115827057
N-[(3,5-dimethylcyclohexyl)-pyridin-3-ylmethyl]ethanamine
CID 64731500
N-[(3,5-dimethylcyclohexyl)-pyridin-4-ylmethyl]ethanamine
CID 64728497
N-[(3,5-dimethylcyclohexyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 65195899
N-[(3,5-dimethylcyclohexyl)-(2,6-dimethyl-4-pyridinyl)methyl]ethanamine
CID 107503952
N-[(2-methylcyclopentyl)-pyrimidin-5-ylmethyl]ethanamine
CID 107188092
N-[(2,2-dimethylcyclopropyl)-pyrimidin-5-ylmethyl]ethanamine
CID 107004233
N-[(1,1-dioxothiolan-3-yl)-pyrimidin-5-ylmethyl]ethanamine
CID 115336884
N-[oxan-3-yl(pyrimidin-5-yl)methyl]ethanamine
CID 65332037
N-[(3,5-dimethylcyclohexyl)-(2-methyl-4-pyridinyl)methyl]ethanamine
CID 106755408
N-[(3-chlorophenyl)-(3,5-dimethylcyclohexyl)methyl]ethanamine
CID 64730507
N-[(3,5-dimethylcyclohexyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 64730112

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylcyclohexyl)-pyrimidin-5-ylmethyl]ethanamine?
The IUPAC name of N-[(3,5-dimethylcyclohexyl)-pyrimidin-5-ylmethyl]ethanamine (CID 102923487) is N-[(3,5-dimethylcyclohexyl)-pyrimidin-5-ylmethyl]ethanamine.
What is the SMILES notation for N-[(3,5-dimethylcyclohexyl)-pyrimidin-5-ylmethyl]ethanamine?
The canonical SMILES for N-[(3,5-dimethylcyclohexyl)-pyrimidin-5-ylmethyl]ethanamine is CCNC(c1cncnc1)C1CC(C)CC(C)C1.
What is the InChIKey of N-[(3,5-dimethylcyclohexyl)-pyrimidin-5-ylmethyl]ethanamine?
The InChIKey is JIQHPVRCNVAHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-4-18-15(14-8-16-10-17-9-14)13-6-11(2)5-12(3)7-13/h8-13,15,18H,4-7H2,1-3H3.
What are the key properties of N-[(3,5-dimethylcyclohexyl)-pyrimidin-5-ylmethyl]ethanamine?
N-[(3,5-dimethylcyclohexyl)-pyrimidin-5-ylmethyl]ethanamine has a molecular weight of 247.39 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylcyclohexyl)-pyrimidin-5-ylmethyl]ethanamine is sourced from PubChem (CID 102923487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).