(2Z,5Z)-N',2-dimethyl-3-(methylideneamino)deca-2,5-dienimidamide

C13H23N3 — CID 138546715

IUPAC(2Z,5Z)-N',2-dimethyl-3-(methylideneamino)deca-2,5-dienimidamide
SMILESC=N/C(C/C=C\CCCC)=C(C)\C(N)=N\C
InChIInChI=1S/C13H23N3/c1-5-6-7-8-9-10-12(15-3)11(2)13(14)16-4/h8-9H,3,5-7,10H2,1-2,4H3,(H2,14,16)/b9-8-,12-11-
InChIKeyQCGHOPDRIWXECS-MURFETPASA-N
MW221.35 g/mol
LogP3.08
Rot. Bonds7

About (2Z,5Z)-N',2-dimethyl-3-(methylideneamino)deca-2,5-dienimidamide

(2Z,5Z)-N',2-dimethyl-3-(methylideneamino)deca-2,5-dienimidamide (PubChem CID 138546715) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is (2Z,5Z)-N',2-dimethyl-3-(methylideneamino)deca-2,5-dienimidamide.

Molecular Properties

Compound Name(2Z,5Z)-N',2-dimethyl-3-(methylideneamino)deca-2,5-dienimidamide
PubChem CID138546715
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name(2Z,5Z)-N',2-dimethyl-3-(methylideneamino)deca-2,5-dienimidamide
SMILESC=N/C(C/C=C\CCCC)=C(C)\C(N)=N\C
InChIInChI=1S/C13H23N3/c1-5-6-7-8-9-10-12(15-3)11(2)13(14)16-4/h8-9H,3,5-7,10H2,1-2,4H3,(H2,14,16)/b9-8-,12-11-
InChIKeyQCGHOPDRIWXECS-MURFETPASA-N
XLogP3.08
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z,5Z)-N',2-dimethyl-3-(methylideneamino)deca-2,5-dienimidamide?
The IUPAC name of (2Z,5Z)-N',2-dimethyl-3-(methylideneamino)deca-2,5-dienimidamide (CID 138546715) is (2Z,5Z)-N',2-dimethyl-3-(methylideneamino)deca-2,5-dienimidamide.
What is the SMILES notation for (2Z,5Z)-N',2-dimethyl-3-(methylideneamino)deca-2,5-dienimidamide?
The canonical SMILES for (2Z,5Z)-N',2-dimethyl-3-(methylideneamino)deca-2,5-dienimidamide is C=N/C(C/C=C\CCCC)=C(C)\C(N)=N\C.
What is the InChIKey of (2Z,5Z)-N',2-dimethyl-3-(methylideneamino)deca-2,5-dienimidamide?
The InChIKey is QCGHOPDRIWXECS-MURFETPASA-N. The full InChI is InChI=1S/C13H23N3/c1-5-6-7-8-9-10-12(15-3)11(2)13(14)16-4/h8-9H,3,5-7,10H2,1-2,4H3,(H2,14,16)/b9-8-,12-11-.
What are the key properties of (2Z,5Z)-N',2-dimethyl-3-(methylideneamino)deca-2,5-dienimidamide?
(2Z,5Z)-N',2-dimethyl-3-(methylideneamino)deca-2,5-dienimidamide has a molecular weight of 221.35 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5Z)-N',2-dimethyl-3-(methylideneamino)deca-2,5-dienimidamide is sourced from PubChem (CID 138546715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).