N',2-dimethyl-N-(2-methylprop-2-enylidene)propanimidamide

C9H16N2 — CID 177015588

IUPACN',2-dimethyl-N-(2-methylprop-2-enylidene)propanimidamide
SMILESC=C(C)/C=N/C(=N\C)C(C)C
InChIInChI=1S/C9H16N2/c1-7(2)6-11-9(10-5)8(3)4/h6,8H,1H2,2-5H3/b10-9-,11-6+
InChIKeyMWMCIWZIPXLRTR-AOXGIJKRSA-N
MW152.24 g/mol
LogP2.32
Rot. Bonds2

About N',2-dimethyl-N-(2-methylprop-2-enylidene)propanimidamide

N',2-dimethyl-N-(2-methylprop-2-enylidene)propanimidamide (PubChem CID 177015588) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is N',2-dimethyl-N-(2-methylprop-2-enylidene)propanimidamide.

Molecular Properties

Compound NameN',2-dimethyl-N-(2-methylprop-2-enylidene)propanimidamide
PubChem CID177015588
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC NameN',2-dimethyl-N-(2-methylprop-2-enylidene)propanimidamide
SMILESC=C(C)/C=N/C(=N\C)C(C)C
InChIInChI=1S/C9H16N2/c1-7(2)6-11-9(10-5)8(3)4/h6,8H,1H2,2-5H3/b10-9-,11-6+
InChIKeyMWMCIWZIPXLRTR-AOXGIJKRSA-N
XLogP2.32
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 ≤ 52.32
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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Frequently Asked Questions

What is the IUPAC name of N',2-dimethyl-N-(2-methylprop-2-enylidene)propanimidamide?
The IUPAC name of N',2-dimethyl-N-(2-methylprop-2-enylidene)propanimidamide (CID 177015588) is N',2-dimethyl-N-(2-methylprop-2-enylidene)propanimidamide.
What is the SMILES notation for N',2-dimethyl-N-(2-methylprop-2-enylidene)propanimidamide?
The canonical SMILES for N',2-dimethyl-N-(2-methylprop-2-enylidene)propanimidamide is C=C(C)/C=N/C(=N\C)C(C)C.
What is the InChIKey of N',2-dimethyl-N-(2-methylprop-2-enylidene)propanimidamide?
The InChIKey is MWMCIWZIPXLRTR-AOXGIJKRSA-N. The full InChI is InChI=1S/C9H16N2/c1-7(2)6-11-9(10-5)8(3)4/h6,8H,1H2,2-5H3/b10-9-,11-6+.
What are the key properties of N',2-dimethyl-N-(2-methylprop-2-enylidene)propanimidamide?
N',2-dimethyl-N-(2-methylprop-2-enylidene)propanimidamide has a molecular weight of 152.24 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N',2-dimethyl-N-(2-methylprop-2-enylidene)propanimidamide is sourced from PubChem (CID 177015588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).