2-(2,4-dimethylpiperazin-1-yl)-N-ethylcyclohexan-1-amine

C14H29N3 — CID 114086633

IUPAC2-(2,4-dimethylpiperazin-1-yl)-N-ethylcyclohexan-1-amine
SMILESCCNC1CCCCC1N1CCN(C)CC1C
InChIInChI=1S/C14H29N3/c1-4-15-13-7-5-6-8-14(13)17-10-9-16(3)11-12(17)2/h12-15H,4-11H2,1-3H3
InChIKeyBXFBOMZWKRFJID-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.54
Rot. Bonds3

About 2-(2,4-dimethylpiperazin-1-yl)-N-ethylcyclohexan-1-amine

2-(2,4-dimethylpiperazin-1-yl)-N-ethylcyclohexan-1-amine (PubChem CID 114086633) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 2-(2,4-dimethylpiperazin-1-yl)-N-ethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(2,4-dimethylpiperazin-1-yl)-N-ethylcyclohexan-1-amine
PubChem CID114086633
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name2-(2,4-dimethylpiperazin-1-yl)-N-ethylcyclohexan-1-amine
SMILESCCNC1CCCCC1N1CCN(C)CC1C
InChIInChI=1S/C14H29N3/c1-4-15-13-7-5-6-8-14(13)17-10-9-16(3)11-12(17)2/h12-15H,4-11H2,1-3H3
InChIKeyBXFBOMZWKRFJID-UHFFFAOYSA-N
XLogP1.54
TPSA18.51 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 ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylpiperazin-1-yl)-N-ethylcyclohexan-1-amine?
The IUPAC name of 2-(2,4-dimethylpiperazin-1-yl)-N-ethylcyclohexan-1-amine (CID 114086633) is 2-(2,4-dimethylpiperazin-1-yl)-N-ethylcyclohexan-1-amine.
What is the SMILES notation for 2-(2,4-dimethylpiperazin-1-yl)-N-ethylcyclohexan-1-amine?
The canonical SMILES for 2-(2,4-dimethylpiperazin-1-yl)-N-ethylcyclohexan-1-amine is CCNC1CCCCC1N1CCN(C)CC1C.
What is the InChIKey of 2-(2,4-dimethylpiperazin-1-yl)-N-ethylcyclohexan-1-amine?
The InChIKey is BXFBOMZWKRFJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-4-15-13-7-5-6-8-14(13)17-10-9-16(3)11-12(17)2/h12-15H,4-11H2,1-3H3.
What are the key properties of 2-(2,4-dimethylpiperazin-1-yl)-N-ethylcyclohexan-1-amine?
2-(2,4-dimethylpiperazin-1-yl)-N-ethylcyclohexan-1-amine has a molecular weight of 239.41 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylpiperazin-1-yl)-N-ethylcyclohexan-1-amine is sourced from PubChem (CID 114086633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).