(2Z)-3-(cyclododecylideneamino)cyclododec-2-en-1-amine

C24H44N2 — CID 138710220

IUPAC(2Z)-3-(cyclododecylideneamino)cyclododec-2-en-1-amine
SMILESNC1/C=C(\N=C2CCCCCCCCCCC2)CCCCCCCCC1
InChIInChI=1S/C24H44N2/c25-22-17-13-9-5-4-8-12-16-20-24(21-22)26-23-18-14-10-6-2-1-3-7-11-15-19-23/h21-22H,1-20,25H2/b24-21-
InChIKeyZMLAZXCLIATCJT-FLFQWRMESA-N
MW360.63 g/mol
LogP7.47
Rot. Bonds1

About (2Z)-3-(cyclododecylideneamino)cyclododec-2-en-1-amine

(2Z)-3-(cyclododecylideneamino)cyclododec-2-en-1-amine (PubChem CID 138710220) has the molecular formula C24H44N2 and a molecular weight of 360.63 g/mol. Its IUPAC name is (2Z)-3-(cyclododecylideneamino)cyclododec-2-en-1-amine.

Molecular Properties

Compound Name(2Z)-3-(cyclododecylideneamino)cyclododec-2-en-1-amine
PubChem CID138710220
Molecular FormulaC24H44N2
Molecular Weight360.63 g/mol
Exact Mass360.35
IUPAC Name(2Z)-3-(cyclododecylideneamino)cyclododec-2-en-1-amine
SMILESNC1/C=C(\N=C2CCCCCCCCCCC2)CCCCCCCCC1
InChIInChI=1S/C24H44N2/c25-22-17-13-9-5-4-8-12-16-20-24(21-22)26-23-18-14-10-6-2-1-3-7-11-15-19-23/h21-22H,1-20,25H2/b24-21-
InChIKeyZMLAZXCLIATCJT-FLFQWRMESA-N
XLogP7.47
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.63
LogP ≤ 57.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-3-(cyclododecylideneamino)cyclododec-2-en-1-amine?
The IUPAC name of (2Z)-3-(cyclododecylideneamino)cyclododec-2-en-1-amine (CID 138710220) is (2Z)-3-(cyclododecylideneamino)cyclododec-2-en-1-amine.
What is the SMILES notation for (2Z)-3-(cyclododecylideneamino)cyclododec-2-en-1-amine?
The canonical SMILES for (2Z)-3-(cyclododecylideneamino)cyclododec-2-en-1-amine is NC1/C=C(\N=C2CCCCCCCCCCC2)CCCCCCCCC1.
What is the InChIKey of (2Z)-3-(cyclododecylideneamino)cyclododec-2-en-1-amine?
The InChIKey is ZMLAZXCLIATCJT-FLFQWRMESA-N. The full InChI is InChI=1S/C24H44N2/c25-22-17-13-9-5-4-8-12-16-20-24(21-22)26-23-18-14-10-6-2-1-3-7-11-15-19-23/h21-22H,1-20,25H2/b24-21-.
What are the key properties of (2Z)-3-(cyclododecylideneamino)cyclododec-2-en-1-amine?
(2Z)-3-(cyclododecylideneamino)cyclododec-2-en-1-amine has a molecular weight of 360.63 g/mol, XLogP of 7.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-(cyclododecylideneamino)cyclododec-2-en-1-amine is sourced from PubChem (CID 138710220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).