1-(4-ethylcyclohexyl)-N-(pyrimidin-5-ylmethyl)methanamine

C14H23N3 — CID 62761015

IUPAC1-(4-ethylcyclohexyl)-N-(pyrimidin-5-ylmethyl)methanamine
SMILESCCC1CCC(CNCc2cncnc2)CC1
InChIInChI=1S/C14H23N3/c1-2-12-3-5-13(6-4-12)7-15-8-14-9-16-11-17-10-14/h9-13,15H,2-8H2,1H3
InChIKeyKDXWMXQNUWGKKL-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.78
Rot. Bonds5

About 1-(4-ethylcyclohexyl)-N-(pyrimidin-5-ylmethyl)methanamine

1-(4-ethylcyclohexyl)-N-(pyrimidin-5-ylmethyl)methanamine (PubChem CID 62761015) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-(4-ethylcyclohexyl)-N-(pyrimidin-5-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(4-ethylcyclohexyl)-N-(pyrimidin-5-ylmethyl)methanamine
PubChem CID62761015
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name1-(4-ethylcyclohexyl)-N-(pyrimidin-5-ylmethyl)methanamine
SMILESCCC1CCC(CNCc2cncnc2)CC1
InChIInChI=1S/C14H23N3/c1-2-12-3-5-13(6-4-12)7-15-8-14-9-16-11-17-10-14/h9-13,15H,2-8H2,1H3
InChIKeyKDXWMXQNUWGKKL-UHFFFAOYSA-N
XLogP2.78
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylcyclohexyl)-N-(pyrimidin-5-ylmethyl)methanamine?
The IUPAC name of 1-(4-ethylcyclohexyl)-N-(pyrimidin-5-ylmethyl)methanamine (CID 62761015) is 1-(4-ethylcyclohexyl)-N-(pyrimidin-5-ylmethyl)methanamine.
What is the SMILES notation for 1-(4-ethylcyclohexyl)-N-(pyrimidin-5-ylmethyl)methanamine?
The canonical SMILES for 1-(4-ethylcyclohexyl)-N-(pyrimidin-5-ylmethyl)methanamine is CCC1CCC(CNCc2cncnc2)CC1.
What is the InChIKey of 1-(4-ethylcyclohexyl)-N-(pyrimidin-5-ylmethyl)methanamine?
The InChIKey is KDXWMXQNUWGKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-2-12-3-5-13(6-4-12)7-15-8-14-9-16-11-17-10-14/h9-13,15H,2-8H2,1H3.
What are the key properties of 1-(4-ethylcyclohexyl)-N-(pyrimidin-5-ylmethyl)methanamine?
1-(4-ethylcyclohexyl)-N-(pyrimidin-5-ylmethyl)methanamine has a molecular weight of 233.36 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylcyclohexyl)-N-(pyrimidin-5-ylmethyl)methanamine is sourced from PubChem (CID 62761015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).