N'-(3,3-dimethylbut-1-enyl)-N-methylidenemethanimidamide

C8H14N2 — CID 123751931

IUPACN'-(3,3-dimethylbut-1-enyl)-N-methylidenemethanimidamide
SMILESC=N/C=N/C=CC(C)(C)C
InChIInChI=1S/C8H14N2/c1-8(2,3)5-6-10-7-9-4/h5-7H,4H2,1-3H3/b6-5?,10-7+
InChIKeyCNEYFOJSMOLPBV-JDVLXEGBSA-N
MW138.21 g/mol
LogP2.28
Rot. Bonds2

About N'-(3,3-dimethylbut-1-enyl)-N-methylidenemethanimidamide

N'-(3,3-dimethylbut-1-enyl)-N-methylidenemethanimidamide (PubChem CID 123751931) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is N'-(3,3-dimethylbut-1-enyl)-N-methylidenemethanimidamide.

Molecular Properties

Compound NameN'-(3,3-dimethylbut-1-enyl)-N-methylidenemethanimidamide
PubChem CID123751931
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC NameN'-(3,3-dimethylbut-1-enyl)-N-methylidenemethanimidamide
SMILESC=N/C=N/C=CC(C)(C)C
InChIInChI=1S/C8H14N2/c1-8(2,3)5-6-10-7-9-4/h5-7H,4H2,1-3H3/b6-5?,10-7+
InChIKeyCNEYFOJSMOLPBV-JDVLXEGBSA-N
XLogP2.28
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5,5-Dimethyl-1,3-diazepine
CID 89049693
N'-hex-1-enyl-N-methylidenemethanimidamide
CID 91570031
N'-but-1-enyl-N-methylidenemethanimidamide
CID 123151718
N-methylidene-N'-pent-1-enylmethanimidamide
CID 123347539
2,5,5-Trimethyl-1,3-diazepine
CID 123614796
N-methylidene-N'-(4-methylpent-1-enyl)methanimidamide
CID 123712330
N'-[(Z)-3,3-dimethylbut-1-enyl]-N-methylidenemethanimidamide
CID 131981182
N'-[(Z)-3-methylbut-1-enyl]-N-methylidenemethanimidamide
CID 138552732
3,5,5-trimethyl-4H-1,3-diazepine
CID 141779936
N-[(1Z)-3,3-dimethylpenta-1,4-dienyl]methanimine
CID 144544203
N-ethylidene-N'-[(E)-3-methylbut-1-enyl]methanimidamide
CID 144804624
1,5,5-Trimethyl-1,3-diazepin-1-ium
CID 145003298

Frequently Asked Questions

What is the IUPAC name of N'-(3,3-dimethylbut-1-enyl)-N-methylidenemethanimidamide?
The IUPAC name of N'-(3,3-dimethylbut-1-enyl)-N-methylidenemethanimidamide (CID 123751931) is N'-(3,3-dimethylbut-1-enyl)-N-methylidenemethanimidamide.
What is the SMILES notation for N'-(3,3-dimethylbut-1-enyl)-N-methylidenemethanimidamide?
The canonical SMILES for N'-(3,3-dimethylbut-1-enyl)-N-methylidenemethanimidamide is C=N/C=N/C=CC(C)(C)C.
What is the InChIKey of N'-(3,3-dimethylbut-1-enyl)-N-methylidenemethanimidamide?
The InChIKey is CNEYFOJSMOLPBV-JDVLXEGBSA-N. The full InChI is InChI=1S/C8H14N2/c1-8(2,3)5-6-10-7-9-4/h5-7H,4H2,1-3H3/b6-5?,10-7+.
What are the key properties of N'-(3,3-dimethylbut-1-enyl)-N-methylidenemethanimidamide?
N'-(3,3-dimethylbut-1-enyl)-N-methylidenemethanimidamide has a molecular weight of 138.21 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,3-dimethylbut-1-enyl)-N-methylidenemethanimidamide is sourced from PubChem (CID 123751931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).