N-[1-(methylamino)propan-2-ylidene]methanimidamide

C5H11N3 — CID 142272138

IUPACN-[1-(methylamino)propan-2-ylidene]methanimidamide
SMILES[H]/N=C/N=C(\C)CNC
InChIInChI=1S/C5H11N3/c1-5(3-7-2)8-4-6/h4,6-7H,3H2,1-2H3/b6-4+,8-5+
InChIKeyZGGFPPUXGLIWKA-HLQBBKRNSA-N
MW113.16 g/mol
LogP0.27
Rot. Bonds3

About N-[1-(methylamino)propan-2-ylidene]methanimidamide

N-[1-(methylamino)propan-2-ylidene]methanimidamide (PubChem CID 142272138) has the molecular formula C5H11N3 and a molecular weight of 113.16 g/mol. Its IUPAC name is N-[1-(methylamino)propan-2-ylidene]methanimidamide.

Molecular Properties

Compound NameN-[1-(methylamino)propan-2-ylidene]methanimidamide
PubChem CID142272138
Molecular FormulaC5H11N3
Molecular Weight113.16 g/mol
Exact Mass113.10
IUPAC NameN-[1-(methylamino)propan-2-ylidene]methanimidamide
SMILES[H]/N=C/N=C(\C)CNC
InChIInChI=1S/C5H11N3/c1-5(3-7-2)8-4-6/h4,6-7H,3H2,1-2H3/b6-4+,8-5+
InChIKeyZGGFPPUXGLIWKA-HLQBBKRNSA-N
XLogP0.27
TPSA48.24 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.27
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-[4-(methylamino)butan-2-ylidene]methanimidamide
CID 118973434
methyl N-methanimidoylpropanimidate
CID 167023162
methyl N-methanimidoylethanimidothioate
CID 129258091
N-methanimidoylpropanimidoyl chloride
CID 146526753
N-[bis(methylsulfanyl)methylidene]methanimidamide
CID 156561995
N-(1-aminoethylidene)-2-(methylamino)ethanimidamide
CID 122487479
N-[(1E,4E)-1-amino-2-methyl-5-(methylaminooxy)hexa-1,4-dien-3-ylidene]methanimidamide
CID 90453444
(N'-methanimidoylcarbamimidoyl)sulfanyl N-methanimidoylethanimidothioate
CID 123419099
N,N-dimethylmethanimidamide;N-methylhydroxylamine
CID 156650202
N-[(1E,4Z)-1-amino-2-methylhexa-1,4-dien-3-ylidene]methanimidamide
CID 90452898
N-[(1E)-1-amino-2-methylpenta-1,4-dien-3-ylidene]methanimidamide
CID 90453946
N-diazenyl-2-(methylamino)acetamide
CID 137160680

Frequently Asked Questions

What is the IUPAC name of N-[1-(methylamino)propan-2-ylidene]methanimidamide?
The IUPAC name of N-[1-(methylamino)propan-2-ylidene]methanimidamide (CID 142272138) is N-[1-(methylamino)propan-2-ylidene]methanimidamide.
What is the SMILES notation for N-[1-(methylamino)propan-2-ylidene]methanimidamide?
The canonical SMILES for N-[1-(methylamino)propan-2-ylidene]methanimidamide is [H]/N=C/N=C(\C)CNC.
What is the InChIKey of N-[1-(methylamino)propan-2-ylidene]methanimidamide?
The InChIKey is ZGGFPPUXGLIWKA-HLQBBKRNSA-N. The full InChI is InChI=1S/C5H11N3/c1-5(3-7-2)8-4-6/h4,6-7H,3H2,1-2H3/b6-4+,8-5+.
What are the key properties of N-[1-(methylamino)propan-2-ylidene]methanimidamide?
N-[1-(methylamino)propan-2-ylidene]methanimidamide has a molecular weight of 113.16 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(methylamino)propan-2-ylidene]methanimidamide is sourced from PubChem (CID 142272138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).