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

C18H32N2 — CID 138718256

IUPAC(2Z)-3-(cyclohexylideneamino)cyclododec-2-en-1-amine
SMILESNC1/C=C(\N=C2CCCCC2)CCCCCCCCC1
InChIInChI=1S/C18H32N2/c19-16-11-7-4-2-1-3-5-8-14-18(15-16)20-17-12-9-6-10-13-17/h15-16H,1-14,19H2/b18-15-
InChIKeyDQOYAVWLLXMGCJ-SDXDJHTJSA-N
MW276.47 g/mol
LogP5.13
Rot. Bonds1

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

(2Z)-3-(cyclohexylideneamino)cyclododec-2-en-1-amine (PubChem CID 138718256) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is (2Z)-3-(cyclohexylideneamino)cyclododec-2-en-1-amine.

Molecular Properties

Compound Name(2Z)-3-(cyclohexylideneamino)cyclododec-2-en-1-amine
PubChem CID138718256
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name(2Z)-3-(cyclohexylideneamino)cyclododec-2-en-1-amine
SMILESNC1/C=C(\N=C2CCCCC2)CCCCCCCCC1
InChIInChI=1S/C18H32N2/c19-16-11-7-4-2-1-3-5-8-14-18(15-16)20-17-12-9-6-10-13-17/h15-16H,1-14,19H2/b18-15-
InChIKeyDQOYAVWLLXMGCJ-SDXDJHTJSA-N
XLogP5.13
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.47
LogP ≤ 55.13
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-(cyclohexylideneamino)cyclododec-2-en-1-amine?
The IUPAC name of (2Z)-3-(cyclohexylideneamino)cyclododec-2-en-1-amine (CID 138718256) is (2Z)-3-(cyclohexylideneamino)cyclododec-2-en-1-amine.
What is the SMILES notation for (2Z)-3-(cyclohexylideneamino)cyclododec-2-en-1-amine?
The canonical SMILES for (2Z)-3-(cyclohexylideneamino)cyclododec-2-en-1-amine is NC1/C=C(\N=C2CCCCC2)CCCCCCCCC1.
What is the InChIKey of (2Z)-3-(cyclohexylideneamino)cyclododec-2-en-1-amine?
The InChIKey is DQOYAVWLLXMGCJ-SDXDJHTJSA-N. The full InChI is InChI=1S/C18H32N2/c19-16-11-7-4-2-1-3-5-8-14-18(15-16)20-17-12-9-6-10-13-17/h15-16H,1-14,19H2/b18-15-.
What are the key properties of (2Z)-3-(cyclohexylideneamino)cyclododec-2-en-1-amine?
(2Z)-3-(cyclohexylideneamino)cyclododec-2-en-1-amine has a molecular weight of 276.47 g/mol, XLogP of 5.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-(cyclohexylideneamino)cyclododec-2-en-1-amine is sourced from PubChem (CID 138718256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).