[1-(2-ethylcyclohexyl)-4-methylpiperazin-2-yl]methanamine

C14H29N3 — CID 80505275

IUPAC[1-(2-ethylcyclohexyl)-4-methylpiperazin-2-yl]methanamine
SMILESCCC1CCCCC1N1CCN(C)CC1CN
InChIInChI=1S/C14H29N3/c1-3-12-6-4-5-7-14(12)17-9-8-16(2)11-13(17)10-15/h12-14H,3-11,15H2,1-2H3
InChIKeyBADLFOCYUBQYIL-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.53
Rot. Bonds3

About [1-(2-ethylcyclohexyl)-4-methylpiperazin-2-yl]methanamine

[1-(2-ethylcyclohexyl)-4-methylpiperazin-2-yl]methanamine (PubChem CID 80505275) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is [1-(2-ethylcyclohexyl)-4-methylpiperazin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(2-ethylcyclohexyl)-4-methylpiperazin-2-yl]methanamine
PubChem CID80505275
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name[1-(2-ethylcyclohexyl)-4-methylpiperazin-2-yl]methanamine
SMILESCCC1CCCCC1N1CCN(C)CC1CN
InChIInChI=1S/C14H29N3/c1-3-12-6-4-5-7-14(12)17-9-8-16(2)11-13(17)10-15/h12-14H,3-11,15H2,1-2H3
InChIKeyBADLFOCYUBQYIL-UHFFFAOYSA-N
XLogP1.53
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(2-ethylcyclohexyl)-4-methylpiperazin-2-yl]methanamine?
The IUPAC name of [1-(2-ethylcyclohexyl)-4-methylpiperazin-2-yl]methanamine (CID 80505275) is [1-(2-ethylcyclohexyl)-4-methylpiperazin-2-yl]methanamine.
What is the SMILES notation for [1-(2-ethylcyclohexyl)-4-methylpiperazin-2-yl]methanamine?
The canonical SMILES for [1-(2-ethylcyclohexyl)-4-methylpiperazin-2-yl]methanamine is CCC1CCCCC1N1CCN(C)CC1CN.
What is the InChIKey of [1-(2-ethylcyclohexyl)-4-methylpiperazin-2-yl]methanamine?
The InChIKey is BADLFOCYUBQYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-3-12-6-4-5-7-14(12)17-9-8-16(2)11-13(17)10-15/h12-14H,3-11,15H2,1-2H3.
What are the key properties of [1-(2-ethylcyclohexyl)-4-methylpiperazin-2-yl]methanamine?
[1-(2-ethylcyclohexyl)-4-methylpiperazin-2-yl]methanamine has a molecular weight of 239.41 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethylcyclohexyl)-4-methylpiperazin-2-yl]methanamine is sourced from PubChem (CID 80505275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).