N,N'-dimethyl-2-(prop-1-en-2-ylamino)ethanimidamide

C7H15N3 — CID 163625764

IUPACN,N'-dimethyl-2-(prop-1-en-2-ylamino)ethanimidamide
SMILESC=C(C)NC/C(=N/C)NC
InChIInChI=1S/C7H15N3/c1-6(2)10-5-7(8-3)9-4/h10H,1,5H2,2-4H3,(H,8,9)
InChIKeyHRWFDVQHPFDBMJ-UHFFFAOYSA-N
MW141.22 g/mol
LogP0.36
Rot. Bonds3

About N,N'-dimethyl-2-(prop-1-en-2-ylamino)ethanimidamide

N,N'-dimethyl-2-(prop-1-en-2-ylamino)ethanimidamide (PubChem CID 163625764) has the molecular formula C7H15N3 and a molecular weight of 141.22 g/mol. Its IUPAC name is N,N'-dimethyl-2-(prop-1-en-2-ylamino)ethanimidamide.

Molecular Properties

Compound NameN,N'-dimethyl-2-(prop-1-en-2-ylamino)ethanimidamide
PubChem CID163625764
Molecular FormulaC7H15N3
Molecular Weight141.22 g/mol
Exact Mass141.13
IUPAC NameN,N'-dimethyl-2-(prop-1-en-2-ylamino)ethanimidamide
SMILESC=C(C)NC/C(=N/C)NC
InChIInChI=1S/C7H15N3/c1-6(2)10-5-7(8-3)9-4/h10H,1,5H2,2-4H3,(H,8,9)
InChIKeyHRWFDVQHPFDBMJ-UHFFFAOYSA-N
XLogP0.36
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.22
LogP ≤ 50.36
H-Bond Donors ≤ 52
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'-[2-(2-fluoroethylamino)prop-2-enyl]ethanimidamide
CID 90071800
2-Methyl-5-methylidene-1,4-dihydroimidazole
CID 58059446
2,4-dimethyl-1H-imidazol-1-ium chloride
CID 67915380
1-methanidyl-2,5-dimethyl-1H-imidazol-1-ium
CID 87342972
1-methanidyl-2,4-dimethyl-1H-imidazol-1-ium
CID 87342975
N'-methyl-2-[2-[2-(methylamino)prop-2-enylamino]ethylamino]ethanimidamide
CID 89383686
N'-methyl-N-prop-1-en-2-ylethanimidamide
CID 91470690
N'-(methylaminomethyl)-N-prop-1-en-2-ylethanimidamide
CID 123372608
N-ethyl-2-(ethylideneamino)-N'-methylprop-2-enimidamide
CID 123430551
N-methyl-1-prop-1-en-2-ylpiperazin-2-imine
CID 123565634
2-amino-N'-methyl-N-prop-1-enylethanimidamide
CID 123595067
N'-ethyl-N-prop-1-en-2-ylethanimidamide
CID 123768299

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-2-(prop-1-en-2-ylamino)ethanimidamide?
The IUPAC name of N,N'-dimethyl-2-(prop-1-en-2-ylamino)ethanimidamide (CID 163625764) is N,N'-dimethyl-2-(prop-1-en-2-ylamino)ethanimidamide.
What is the SMILES notation for N,N'-dimethyl-2-(prop-1-en-2-ylamino)ethanimidamide?
The canonical SMILES for N,N'-dimethyl-2-(prop-1-en-2-ylamino)ethanimidamide is C=C(C)NC/C(=N/C)NC.
What is the InChIKey of N,N'-dimethyl-2-(prop-1-en-2-ylamino)ethanimidamide?
The InChIKey is HRWFDVQHPFDBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3/c1-6(2)10-5-7(8-3)9-4/h10H,1,5H2,2-4H3,(H,8,9).
What are the key properties of N,N'-dimethyl-2-(prop-1-en-2-ylamino)ethanimidamide?
N,N'-dimethyl-2-(prop-1-en-2-ylamino)ethanimidamide has a molecular weight of 141.22 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-2-(prop-1-en-2-ylamino)ethanimidamide is sourced from PubChem (CID 163625764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).