N-(2-methanimidoylprop-2-enyl)-N'-propan-2-ylethane-1,2-diamine

C9H19N3 — CID 123225704

IUPACN-(2-methanimidoylprop-2-enyl)-N'-propan-2-ylethane-1,2-diamine
SMILES[H]/N=C/C(=C)CNCCNC(C)C
InChIInChI=1S/C9H19N3/c1-8(2)12-5-4-11-7-9(3)6-10/h6,8,10-12H,3-5,7H2,1-2H3/b10-6+
InChIKeyVFINTLSLTMDKSF-UXBLZVDNSA-N
MW169.27 g/mol
LogP0.78
Rot. Bonds7

About N-(2-methanimidoylprop-2-enyl)-N'-propan-2-ylethane-1,2-diamine

N-(2-methanimidoylprop-2-enyl)-N'-propan-2-ylethane-1,2-diamine (PubChem CID 123225704) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is N-(2-methanimidoylprop-2-enyl)-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-methanimidoylprop-2-enyl)-N'-propan-2-ylethane-1,2-diamine
PubChem CID123225704
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC NameN-(2-methanimidoylprop-2-enyl)-N'-propan-2-ylethane-1,2-diamine
SMILES[H]/N=C/C(=C)CNCCNC(C)C
InChIInChI=1S/C9H19N3/c1-8(2)12-5-4-11-7-9(3)6-10/h6,8,10-12H,3-5,7H2,1-2H3/b10-6+
InChIKeyVFINTLSLTMDKSF-UXBLZVDNSA-N
XLogP0.78
TPSA47.91 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methanimidoylprop-2-enyl)-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N-(2-methanimidoylprop-2-enyl)-N'-propan-2-ylethane-1,2-diamine (CID 123225704) is N-(2-methanimidoylprop-2-enyl)-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N-(2-methanimidoylprop-2-enyl)-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N-(2-methanimidoylprop-2-enyl)-N'-propan-2-ylethane-1,2-diamine is [H]/N=C/C(=C)CNCCNC(C)C.
What is the InChIKey of N-(2-methanimidoylprop-2-enyl)-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is VFINTLSLTMDKSF-UXBLZVDNSA-N. The full InChI is InChI=1S/C9H19N3/c1-8(2)12-5-4-11-7-9(3)6-10/h6,8,10-12H,3-5,7H2,1-2H3/b10-6+.
What are the key properties of N-(2-methanimidoylprop-2-enyl)-N'-propan-2-ylethane-1,2-diamine?
N-(2-methanimidoylprop-2-enyl)-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 169.27 g/mol, XLogP of 0.78, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methanimidoylprop-2-enyl)-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 123225704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).