1-N',1-N'-dimethyl-1-N-[3-(3-methylbut-2-en-2-ylimino)-4-methylidenecyclohexa-1,5-dien-1-yl]ethene-1,1-diamine

C16H23N3 — CID 167010313

IUPAC1-N',1-N'-dimethyl-1-N-[3-(3-methylbut-2-en-2-ylimino)-4-methylidenecyclohexa-1,5-dien-1-yl]ethene-1,1-diamine
SMILESC=C1C=CC(NC(=C)N(C)C)=C/C1=N\C(C)=C(C)C
InChIInChI=1S/C16H23N3/c1-11(2)13(4)17-16-10-15(9-8-12(16)3)18-14(5)19(6)7/h8-10,18H,3,5H2,1-2,4,6-7H3/b17-16+
InChIKeyAZVCVCLJVVKWKP-WUKNDPDISA-N
MW257.38 g/mol
LogP3.37
Rot. Bonds4

About 1-N',1-N'-dimethyl-1-N-[3-(3-methylbut-2-en-2-ylimino)-4-methylidenecyclohexa-1,5-dien-1-yl]ethene-1,1-diamine

1-N',1-N'-dimethyl-1-N-[3-(3-methylbut-2-en-2-ylimino)-4-methylidenecyclohexa-1,5-dien-1-yl]ethene-1,1-diamine (PubChem CID 167010313) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-N',1-N'-dimethyl-1-N-[3-(3-methylbut-2-en-2-ylimino)-4-methylidenecyclohexa-1,5-dien-1-yl]ethene-1,1-diamine.

Molecular Properties

Compound Name1-N',1-N'-dimethyl-1-N-[3-(3-methylbut-2-en-2-ylimino)-4-methylidenecyclohexa-1,5-dien-1-yl]ethene-1,1-diamine
PubChem CID167010313
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name1-N',1-N'-dimethyl-1-N-[3-(3-methylbut-2-en-2-ylimino)-4-methylidenecyclohexa-1,5-dien-1-yl]ethene-1,1-diamine
SMILESC=C1C=CC(NC(=C)N(C)C)=C/C1=N\C(C)=C(C)C
InChIInChI=1S/C16H23N3/c1-11(2)13(4)17-16-10-15(9-8-12(16)3)18-14(5)19(6)7/h8-10,18H,3,5H2,1-2,4,6-7H3/b17-16+
InChIKeyAZVCVCLJVVKWKP-WUKNDPDISA-N
XLogP3.37
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-N',1-N'-dimethyl-1-N-[3-(3-methylbut-2-en-2-ylimino)-4-methylidenecyclohexa-1,5-dien-1-yl]ethene-1,1-diamine?
The IUPAC name of 1-N',1-N'-dimethyl-1-N-[3-(3-methylbut-2-en-2-ylimino)-4-methylidenecyclohexa-1,5-dien-1-yl]ethene-1,1-diamine (CID 167010313) is 1-N',1-N'-dimethyl-1-N-[3-(3-methylbut-2-en-2-ylimino)-4-methylidenecyclohexa-1,5-dien-1-yl]ethene-1,1-diamine.
What is the SMILES notation for 1-N',1-N'-dimethyl-1-N-[3-(3-methylbut-2-en-2-ylimino)-4-methylidenecyclohexa-1,5-dien-1-yl]ethene-1,1-diamine?
The canonical SMILES for 1-N',1-N'-dimethyl-1-N-[3-(3-methylbut-2-en-2-ylimino)-4-methylidenecyclohexa-1,5-dien-1-yl]ethene-1,1-diamine is C=C1C=CC(NC(=C)N(C)C)=C/C1=N\C(C)=C(C)C.
What is the InChIKey of 1-N',1-N'-dimethyl-1-N-[3-(3-methylbut-2-en-2-ylimino)-4-methylidenecyclohexa-1,5-dien-1-yl]ethene-1,1-diamine?
The InChIKey is AZVCVCLJVVKWKP-WUKNDPDISA-N. The full InChI is InChI=1S/C16H23N3/c1-11(2)13(4)17-16-10-15(9-8-12(16)3)18-14(5)19(6)7/h8-10,18H,3,5H2,1-2,4,6-7H3/b17-16+.
What are the key properties of 1-N',1-N'-dimethyl-1-N-[3-(3-methylbut-2-en-2-ylimino)-4-methylidenecyclohexa-1,5-dien-1-yl]ethene-1,1-diamine?
1-N',1-N'-dimethyl-1-N-[3-(3-methylbut-2-en-2-ylimino)-4-methylidenecyclohexa-1,5-dien-1-yl]ethene-1,1-diamine has a molecular weight of 257.38 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N',1-N'-dimethyl-1-N-[3-(3-methylbut-2-en-2-ylimino)-4-methylidenecyclohexa-1,5-dien-1-yl]ethene-1,1-diamine is sourced from PubChem (CID 167010313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).