N,N'-dimethyl-N'-[(E)-1-(3-methylbutan-2-ylideneamino)prop-1-en-2-yl]ethane-1,2-diamine

C12H25N3 — CID 142358668

IUPACN,N'-dimethyl-N'-[(E)-1-(3-methylbutan-2-ylideneamino)prop-1-en-2-yl]ethane-1,2-diamine
SMILESCNCCN(C)/C(C)=C/N=C(\C)C(C)C
InChIInChI=1S/C12H25N3/c1-10(2)12(4)14-9-11(3)15(6)8-7-13-5/h9-10,13H,7-8H2,1-6H3/b11-9+,14-12+
InChIKeySQXLSXFROAINDF-HUJVCGDBSA-N
MW211.35 g/mol
LogP2.12
Rot. Bonds6

About N,N'-dimethyl-N'-[(E)-1-(3-methylbutan-2-ylideneamino)prop-1-en-2-yl]ethane-1,2-diamine

N,N'-dimethyl-N'-[(E)-1-(3-methylbutan-2-ylideneamino)prop-1-en-2-yl]ethane-1,2-diamine (PubChem CID 142358668) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is N,N'-dimethyl-N'-[(E)-1-(3-methylbutan-2-ylideneamino)prop-1-en-2-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-[(E)-1-(3-methylbutan-2-ylideneamino)prop-1-en-2-yl]ethane-1,2-diamine
PubChem CID142358668
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC NameN,N'-dimethyl-N'-[(E)-1-(3-methylbutan-2-ylideneamino)prop-1-en-2-yl]ethane-1,2-diamine
SMILESCNCCN(C)/C(C)=C/N=C(\C)C(C)C
InChIInChI=1S/C12H25N3/c1-10(2)12(4)14-9-11(3)15(6)8-7-13-5/h9-10,13H,7-8H2,1-6H3/b11-9+,14-12+
InChIKeySQXLSXFROAINDF-HUJVCGDBSA-N
XLogP2.12
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-[(E)-1-(3-methylbutan-2-ylideneamino)prop-1-en-2-yl]ethane-1,2-diamine?
The IUPAC name of N,N'-dimethyl-N'-[(E)-1-(3-methylbutan-2-ylideneamino)prop-1-en-2-yl]ethane-1,2-diamine (CID 142358668) is N,N'-dimethyl-N'-[(E)-1-(3-methylbutan-2-ylideneamino)prop-1-en-2-yl]ethane-1,2-diamine.
What is the SMILES notation for N,N'-dimethyl-N'-[(E)-1-(3-methylbutan-2-ylideneamino)prop-1-en-2-yl]ethane-1,2-diamine?
The canonical SMILES for N,N'-dimethyl-N'-[(E)-1-(3-methylbutan-2-ylideneamino)prop-1-en-2-yl]ethane-1,2-diamine is CNCCN(C)/C(C)=C/N=C(\C)C(C)C.
What is the InChIKey of N,N'-dimethyl-N'-[(E)-1-(3-methylbutan-2-ylideneamino)prop-1-en-2-yl]ethane-1,2-diamine?
The InChIKey is SQXLSXFROAINDF-HUJVCGDBSA-N. The full InChI is InChI=1S/C12H25N3/c1-10(2)12(4)14-9-11(3)15(6)8-7-13-5/h9-10,13H,7-8H2,1-6H3/b11-9+,14-12+.
What are the key properties of N,N'-dimethyl-N'-[(E)-1-(3-methylbutan-2-ylideneamino)prop-1-en-2-yl]ethane-1,2-diamine?
N,N'-dimethyl-N'-[(E)-1-(3-methylbutan-2-ylideneamino)prop-1-en-2-yl]ethane-1,2-diamine has a molecular weight of 211.35 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-[(E)-1-(3-methylbutan-2-ylideneamino)prop-1-en-2-yl]ethane-1,2-diamine is sourced from PubChem (CID 142358668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).