N,N'-dimethyl-N-[3-(propylamino)propyl]but-2-enimidamide

C12H25N3 — CID 123355132

IUPACN,N'-dimethyl-N-[3-(propylamino)propyl]but-2-enimidamide
SMILESCC=C/C(=N\C)N(C)CCCNCCC
InChIInChI=1S/C12H25N3/c1-5-8-12(13-3)15(4)11-7-10-14-9-6-2/h5,8,14H,6-7,9-11H2,1-4H3/b8-5?,13-12+
InChIKeyQQMNNPXHVMZFSN-WGURKGIUSA-N
MW211.35 g/mol
LogP1.91
Rot. Bonds7

About N,N'-dimethyl-N-[3-(propylamino)propyl]but-2-enimidamide

N,N'-dimethyl-N-[3-(propylamino)propyl]but-2-enimidamide (PubChem CID 123355132) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is N,N'-dimethyl-N-[3-(propylamino)propyl]but-2-enimidamide.

Molecular Properties

Compound NameN,N'-dimethyl-N-[3-(propylamino)propyl]but-2-enimidamide
PubChem CID123355132
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC NameN,N'-dimethyl-N-[3-(propylamino)propyl]but-2-enimidamide
SMILESCC=C/C(=N\C)N(C)CCCNCCC
InChIInChI=1S/C12H25N3/c1-5-8-12(13-3)15(4)11-7-10-14-9-6-2/h5,8,14H,6-7,9-11H2,1-4H3/b8-5?,13-12+
InChIKeyQQMNNPXHVMZFSN-WGURKGIUSA-N
XLogP1.91
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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,N'-dimethyl-N-[3-(propylamino)propyl]but-2-enimidamide?
The IUPAC name of N,N'-dimethyl-N-[3-(propylamino)propyl]but-2-enimidamide (CID 123355132) is N,N'-dimethyl-N-[3-(propylamino)propyl]but-2-enimidamide.
What is the SMILES notation for N,N'-dimethyl-N-[3-(propylamino)propyl]but-2-enimidamide?
The canonical SMILES for N,N'-dimethyl-N-[3-(propylamino)propyl]but-2-enimidamide is CC=C/C(=N\C)N(C)CCCNCCC.
What is the InChIKey of N,N'-dimethyl-N-[3-(propylamino)propyl]but-2-enimidamide?
The InChIKey is QQMNNPXHVMZFSN-WGURKGIUSA-N. The full InChI is InChI=1S/C12H25N3/c1-5-8-12(13-3)15(4)11-7-10-14-9-6-2/h5,8,14H,6-7,9-11H2,1-4H3/b8-5?,13-12+.
What are the key properties of N,N'-dimethyl-N-[3-(propylamino)propyl]but-2-enimidamide?
N,N'-dimethyl-N-[3-(propylamino)propyl]but-2-enimidamide has a molecular weight of 211.35 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N-[3-(propylamino)propyl]but-2-enimidamide is sourced from PubChem (CID 123355132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).