N'-[(Z)-4,4-dimethylpent-2-en-3-yl]-N-methylidenemethanimidamide

C9H16N2 — CID 134474887

IUPACN'-[(Z)-4,4-dimethylpent-2-en-3-yl]-N-methylidenemethanimidamide
SMILESC=N/C=N/C(=C\C)C(C)(C)C
InChIInChI=1S/C9H16N2/c1-6-8(9(2,3)4)11-7-10-5/h6-7H,5H2,1-4H3/b8-6-,11-7+
InChIKeySZQGTWZDVYDMPN-FAWHLJIPSA-N
MW152.24 g/mol
LogP2.67
Rot. Bonds2

About N'-[(Z)-4,4-dimethylpent-2-en-3-yl]-N-methylidenemethanimidamide

N'-[(Z)-4,4-dimethylpent-2-en-3-yl]-N-methylidenemethanimidamide (PubChem CID 134474887) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is N'-[(Z)-4,4-dimethylpent-2-en-3-yl]-N-methylidenemethanimidamide.

Molecular Properties

Compound NameN'-[(Z)-4,4-dimethylpent-2-en-3-yl]-N-methylidenemethanimidamide
PubChem CID134474887
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC NameN'-[(Z)-4,4-dimethylpent-2-en-3-yl]-N-methylidenemethanimidamide
SMILESC=N/C=N/C(=C\C)C(C)(C)C
InChIInChI=1S/C9H16N2/c1-6-8(9(2,3)4)11-7-10-5/h6-7H,5H2,1-4H3/b8-6-,11-7+
InChIKeySZQGTWZDVYDMPN-FAWHLJIPSA-N
XLogP2.67
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.67
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

N-(2,2-dimethylhept-3-en-3-yl)methanimine
CID 91459972
4-Tert-butyl-1,3-diazacyclohepta-2,4,6,7-tetraene
CID 129033360
N-[(Z)-2,2-dimethylhex-3-en-3-yl]methanimine
CID 129136415
N'-[(Z)-5-methylhex-2-en-3-yl]-N-methylidenemethanimidamide
CID 132035647
N'-[(E)-4-methylhex-3-en-3-yl]-N-methylidenemethanimidamide
CID 135246476
ethane;N'-[(Z)-pent-2-en-2-yl]methanimidamide
CID 142292448
N-[(Z)-4,4-dimethylpent-2-en-3-yl]methanimine
CID 145045249
ethane;N-methylidene-N'-[(Z)-pent-2-en-3-yl]methanimidamide
CID 145116714
N-methylidene-N'-[(Z)-pent-2-en-3-yl]methanimidamide
CID 145116715
N-[(Z)-4,4-dimethylpent-2-en-3-yl]methanimine;ethane
CID 145163101
N'-[(Z)-5-methylhex-3-en-3-yl]methanimidamide
CID 145309304
N-methylidene-N'-[(Z)-4-methylpent-2-en-3-yl]methanimidamide
CID 146221330

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-4,4-dimethylpent-2-en-3-yl]-N-methylidenemethanimidamide?
The IUPAC name of N'-[(Z)-4,4-dimethylpent-2-en-3-yl]-N-methylidenemethanimidamide (CID 134474887) is N'-[(Z)-4,4-dimethylpent-2-en-3-yl]-N-methylidenemethanimidamide.
What is the SMILES notation for N'-[(Z)-4,4-dimethylpent-2-en-3-yl]-N-methylidenemethanimidamide?
The canonical SMILES for N'-[(Z)-4,4-dimethylpent-2-en-3-yl]-N-methylidenemethanimidamide is C=N/C=N/C(=C\C)C(C)(C)C.
What is the InChIKey of N'-[(Z)-4,4-dimethylpent-2-en-3-yl]-N-methylidenemethanimidamide?
The InChIKey is SZQGTWZDVYDMPN-FAWHLJIPSA-N. The full InChI is InChI=1S/C9H16N2/c1-6-8(9(2,3)4)11-7-10-5/h6-7H,5H2,1-4H3/b8-6-,11-7+.
What are the key properties of N'-[(Z)-4,4-dimethylpent-2-en-3-yl]-N-methylidenemethanimidamide?
N'-[(Z)-4,4-dimethylpent-2-en-3-yl]-N-methylidenemethanimidamide has a molecular weight of 152.24 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-4,4-dimethylpent-2-en-3-yl]-N-methylidenemethanimidamide is sourced from PubChem (CID 134474887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).