2-[1-(cyclohexen-1-yl)propylideneamino]-N-[2-[1-(cyclohexen-1-yl)propylideneamino]ethyl]ethanamine

C22H37N3 — CID 18520353

IUPAC2-[1-(cyclohexen-1-yl)propylideneamino]-N-[2-[1-(cyclohexen-1-yl)propylideneamino]ethyl]ethanamine
SMILESCC/C(=N\CCNCC/N=C(\CC)C1=CCCCC1)C1=CCCCC1
InChIInChI=1S/C22H37N3/c1-3-21(19-11-7-5-8-12-19)24-17-15-23-16-18-25-22(4-2)20-13-9-6-10-14-20/h11,13,23H,3-10,12,14-18H2,1-2H3/b24-21+,25-22+
InChIKeyFFBSRFQILYFMHQ-VNABVMDTSA-N
MW343.56 g/mol
LogP5.28
Rot. Bonds10

About 2-[1-(cyclohexen-1-yl)propylideneamino]-N-[2-[1-(cyclohexen-1-yl)propylideneamino]ethyl]ethanamine

2-[1-(cyclohexen-1-yl)propylideneamino]-N-[2-[1-(cyclohexen-1-yl)propylideneamino]ethyl]ethanamine (PubChem CID 18520353) has the molecular formula C22H37N3 and a molecular weight of 343.56 g/mol. Its IUPAC name is 2-[1-(cyclohexen-1-yl)propylideneamino]-N-[2-[1-(cyclohexen-1-yl)propylideneamino]ethyl]ethanamine.

Molecular Properties

Compound Name2-[1-(cyclohexen-1-yl)propylideneamino]-N-[2-[1-(cyclohexen-1-yl)propylideneamino]ethyl]ethanamine
PubChem CID18520353
Molecular FormulaC22H37N3
Molecular Weight343.56 g/mol
Exact Mass343.30
IUPAC Name2-[1-(cyclohexen-1-yl)propylideneamino]-N-[2-[1-(cyclohexen-1-yl)propylideneamino]ethyl]ethanamine
SMILESCC/C(=N\CCNCC/N=C(\CC)C1=CCCCC1)C1=CCCCC1
InChIInChI=1S/C22H37N3/c1-3-21(19-11-7-5-8-12-19)24-17-15-23-16-18-25-22(4-2)20-13-9-6-10-14-20/h11,13,23H,3-10,12,14-18H2,1-2H3/b24-21+,25-22+
InChIKeyFFBSRFQILYFMHQ-VNABVMDTSA-N
XLogP5.28
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.56
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclohexen-1-yl)propylideneamino]-N-[2-[1-(cyclohexen-1-yl)propylideneamino]ethyl]ethanamine?
The IUPAC name of 2-[1-(cyclohexen-1-yl)propylideneamino]-N-[2-[1-(cyclohexen-1-yl)propylideneamino]ethyl]ethanamine (CID 18520353) is 2-[1-(cyclohexen-1-yl)propylideneamino]-N-[2-[1-(cyclohexen-1-yl)propylideneamino]ethyl]ethanamine.
What is the SMILES notation for 2-[1-(cyclohexen-1-yl)propylideneamino]-N-[2-[1-(cyclohexen-1-yl)propylideneamino]ethyl]ethanamine?
The canonical SMILES for 2-[1-(cyclohexen-1-yl)propylideneamino]-N-[2-[1-(cyclohexen-1-yl)propylideneamino]ethyl]ethanamine is CC/C(=N\CCNCC/N=C(\CC)C1=CCCCC1)C1=CCCCC1.
What is the InChIKey of 2-[1-(cyclohexen-1-yl)propylideneamino]-N-[2-[1-(cyclohexen-1-yl)propylideneamino]ethyl]ethanamine?
The InChIKey is FFBSRFQILYFMHQ-VNABVMDTSA-N. The full InChI is InChI=1S/C22H37N3/c1-3-21(19-11-7-5-8-12-19)24-17-15-23-16-18-25-22(4-2)20-13-9-6-10-14-20/h11,13,23H,3-10,12,14-18H2,1-2H3/b24-21+,25-22+.
What are the key properties of 2-[1-(cyclohexen-1-yl)propylideneamino]-N-[2-[1-(cyclohexen-1-yl)propylideneamino]ethyl]ethanamine?
2-[1-(cyclohexen-1-yl)propylideneamino]-N-[2-[1-(cyclohexen-1-yl)propylideneamino]ethyl]ethanamine has a molecular weight of 343.56 g/mol, XLogP of 5.28, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclohexen-1-yl)propylideneamino]-N-[2-[1-(cyclohexen-1-yl)propylideneamino]ethyl]ethanamine is sourced from PubChem (CID 18520353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).