N'-[2-(dimethylamino)prop-1-enyl]-N-methylidenemethanimidamide

C7H13N3 — CID 123507929

IUPACN'-[2-(dimethylamino)prop-1-enyl]-N-methylidenemethanimidamide
SMILESC=N/C=N/C=C(C)N(C)C
InChIInChI=1S/C7H13N3/c1-7(10(3)4)5-9-6-8-2/h5-6H,2H2,1,3-4H3/b7-5?,9-6+
InChIKeyWISWVJQKVSWHCR-MHNMJEMNSA-N
MW139.20 g/mol
LogP1.14
Rot. Bonds3

About N'-[2-(dimethylamino)prop-1-enyl]-N-methylidenemethanimidamide

N'-[2-(dimethylamino)prop-1-enyl]-N-methylidenemethanimidamide (PubChem CID 123507929) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is N'-[2-(dimethylamino)prop-1-enyl]-N-methylidenemethanimidamide.

Molecular Properties

Compound NameN'-[2-(dimethylamino)prop-1-enyl]-N-methylidenemethanimidamide
PubChem CID123507929
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC NameN'-[2-(dimethylamino)prop-1-enyl]-N-methylidenemethanimidamide
SMILESC=N/C=N/C=C(C)N(C)C
InChIInChI=1S/C7H13N3/c1-7(10(3)4)5-9-6-8-2/h5-6H,2H2,1,3-4H3/b7-5?,9-6+
InChIKeyWISWVJQKVSWHCR-MHNMJEMNSA-N
XLogP1.14
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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,N-dimethyl-N'-prop-1-en-2-ylmethanimidamide
CID 12222069
N,N-dimethyl-N'-[(E)-prop-1-enyl]-methanimidamide
CID 24976956
N'-[1-(dimethylamino)prop-1-en-2-yl]-N,N-dimethylmethanimidamide
CID 57036492
N,N-dimethyl-N'-prop-1-enylmethanimidamide
CID 74378000
N'-[(Z)-1-(methylamino)prop-1-en-2-yl]methanimidamide
CID 88893590
N,N'-dimethyl-N-[(Z)-prop-1-enyl]methanimidamide
CID 88942972
N'-[(Z)-1-(dimethylamino)prop-1-en-2-yl]methanimidamide
CID 88995086
N,N-dimethyl-N'-propa-1,2-dienylmethanimidamide
CID 89336882
N'-[(Z)-1-aminoprop-1-en-2-yl]-N-methylidenemethanimidamide
CID 89362422
N,N-dimethyl-N'-[(Z)-prop-1-enyl]methanimidamide
CID 89952329
N,N'-dimethyl-N-prop-1-enylmethanimidamide
CID 91355715
N'-ethyl-N-methyl-N-[(Z)-prop-1-enyl]methanimidamide
CID 121329342

Frequently Asked Questions

What is the IUPAC name of N'-[2-(dimethylamino)prop-1-enyl]-N-methylidenemethanimidamide?
The IUPAC name of N'-[2-(dimethylamino)prop-1-enyl]-N-methylidenemethanimidamide (CID 123507929) is N'-[2-(dimethylamino)prop-1-enyl]-N-methylidenemethanimidamide.
What is the SMILES notation for N'-[2-(dimethylamino)prop-1-enyl]-N-methylidenemethanimidamide?
The canonical SMILES for N'-[2-(dimethylamino)prop-1-enyl]-N-methylidenemethanimidamide is C=N/C=N/C=C(C)N(C)C.
What is the InChIKey of N'-[2-(dimethylamino)prop-1-enyl]-N-methylidenemethanimidamide?
The InChIKey is WISWVJQKVSWHCR-MHNMJEMNSA-N. The full InChI is InChI=1S/C7H13N3/c1-7(10(3)4)5-9-6-8-2/h5-6H,2H2,1,3-4H3/b7-5?,9-6+.
What are the key properties of N'-[2-(dimethylamino)prop-1-enyl]-N-methylidenemethanimidamide?
N'-[2-(dimethylamino)prop-1-enyl]-N-methylidenemethanimidamide has a molecular weight of 139.20 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(dimethylamino)prop-1-enyl]-N-methylidenemethanimidamide is sourced from PubChem (CID 123507929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).