2-[1-(2-aminoethyl)cyclohexyl]-2-(cyclohexen-1-yl)ethanamine;azane

C16H36N4 — CID 21453021

IUPAC2-[1-(2-aminoethyl)cyclohexyl]-2-(cyclohexen-1-yl)ethanamine;azane
SMILESN.N.NCCC1(C(CN)C2=CCCCC2)CCCCC1
InChIInChI=1S/C16H30N2.2H3N/c17-12-11-16(9-5-2-6-10-16)15(13-18)14-7-3-1-4-8-14;;/h7,15H,1-6,8-13,17-18H2;2*1H3
InChIKeyZFNYXAKNEISKKJ-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.68
Rot. Bonds5

About 2-[1-(2-aminoethyl)cyclohexyl]-2-(cyclohexen-1-yl)ethanamine;azane

2-[1-(2-aminoethyl)cyclohexyl]-2-(cyclohexen-1-yl)ethanamine;azane (PubChem CID 21453021) has the molecular formula C16H36N4 and a molecular weight of 284.49 g/mol. Its IUPAC name is 2-[1-(2-aminoethyl)cyclohexyl]-2-(cyclohexen-1-yl)ethanamine;azane.

Molecular Properties

Compound Name2-[1-(2-aminoethyl)cyclohexyl]-2-(cyclohexen-1-yl)ethanamine;azane
PubChem CID21453021
Molecular FormulaC16H36N4
Molecular Weight284.49 g/mol
Exact Mass284.29
IUPAC Name2-[1-(2-aminoethyl)cyclohexyl]-2-(cyclohexen-1-yl)ethanamine;azane
SMILESN.N.NCCC1(C(CN)C2=CCCCC2)CCCCC1
InChIInChI=1S/C16H30N2.2H3N/c17-12-11-16(9-5-2-6-10-16)15(13-18)14-7-3-1-4-8-14;;/h7,15H,1-6,8-13,17-18H2;2*1H3
InChIKeyZFNYXAKNEISKKJ-UHFFFAOYSA-N
XLogP3.68
TPSA122.04 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 53.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-aminoethyl)cyclohexyl]-2-(cyclohexen-1-yl)ethanamine;azane?
The IUPAC name of 2-[1-(2-aminoethyl)cyclohexyl]-2-(cyclohexen-1-yl)ethanamine;azane (CID 21453021) is 2-[1-(2-aminoethyl)cyclohexyl]-2-(cyclohexen-1-yl)ethanamine;azane.
What is the SMILES notation for 2-[1-(2-aminoethyl)cyclohexyl]-2-(cyclohexen-1-yl)ethanamine;azane?
The canonical SMILES for 2-[1-(2-aminoethyl)cyclohexyl]-2-(cyclohexen-1-yl)ethanamine;azane is N.N.NCCC1(C(CN)C2=CCCCC2)CCCCC1.
What is the InChIKey of 2-[1-(2-aminoethyl)cyclohexyl]-2-(cyclohexen-1-yl)ethanamine;azane?
The InChIKey is ZFNYXAKNEISKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2.2H3N/c17-12-11-16(9-5-2-6-10-16)15(13-18)14-7-3-1-4-8-14;;/h7,15H,1-6,8-13,17-18H2;2*1H3.
What are the key properties of 2-[1-(2-aminoethyl)cyclohexyl]-2-(cyclohexen-1-yl)ethanamine;azane?
2-[1-(2-aminoethyl)cyclohexyl]-2-(cyclohexen-1-yl)ethanamine;azane has a molecular weight of 284.49 g/mol, XLogP of 3.68, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-aminoethyl)cyclohexyl]-2-(cyclohexen-1-yl)ethanamine;azane is sourced from PubChem (CID 21453021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).