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

C14H31N3 — CID 142358667

IUPACN,N'-dimethyl-N'-[(E)-1-(3-methylbutan-2-ylideneamino)prop-1-en-2-yl]ethane-1,2-diamine;ethane
SMILESCC.CNCCN(C)/C(C)=C/N=C(\C)C(C)C
InChIInChI=1S/C12H25N3.C2H6/c1-10(2)12(4)14-9-11(3)15(6)8-7-13-5;1-2/h9-10,13H,7-8H2,1-6H3;1-2H3/b11-9+,14-12+;
InChIKeyKAXSHSAHRQIKQP-BJIHUYMNSA-N
MW241.42 g/mol
LogP3.14
Rot. Bonds6

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

N,N'-dimethyl-N'-[(E)-1-(3-methylbutan-2-ylideneamino)prop-1-en-2-yl]ethane-1,2-diamine;ethane (PubChem CID 142358667) has the molecular formula C14H31N3 and a molecular weight of 241.42 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;ethane.

Molecular Properties

Compound NameN,N'-dimethyl-N'-[(E)-1-(3-methylbutan-2-ylideneamino)prop-1-en-2-yl]ethane-1,2-diamine;ethane
PubChem CID142358667
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC NameN,N'-dimethyl-N'-[(E)-1-(3-methylbutan-2-ylideneamino)prop-1-en-2-yl]ethane-1,2-diamine;ethane
SMILESCC.CNCCN(C)/C(C)=C/N=C(\C)C(C)C
InChIInChI=1S/C12H25N3.C2H6/c1-10(2)12(4)14-9-11(3)15(6)8-7-13-5;1-2/h9-10,13H,7-8H2,1-6H3;1-2H3/b11-9+,14-12+;
InChIKeyKAXSHSAHRQIKQP-BJIHUYMNSA-N
XLogP3.14
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.14
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;ethane?
The IUPAC name of N,N'-dimethyl-N'-[(E)-1-(3-methylbutan-2-ylideneamino)prop-1-en-2-yl]ethane-1,2-diamine;ethane (CID 142358667) is N,N'-dimethyl-N'-[(E)-1-(3-methylbutan-2-ylideneamino)prop-1-en-2-yl]ethane-1,2-diamine;ethane.
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;ethane?
The canonical SMILES for N,N'-dimethyl-N'-[(E)-1-(3-methylbutan-2-ylideneamino)prop-1-en-2-yl]ethane-1,2-diamine;ethane is CC.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;ethane?
The InChIKey is KAXSHSAHRQIKQP-BJIHUYMNSA-N. The full InChI is InChI=1S/C12H25N3.C2H6/c1-10(2)12(4)14-9-11(3)15(6)8-7-13-5;1-2/h9-10,13H,7-8H2,1-6H3;1-2H3/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;ethane?
N,N'-dimethyl-N'-[(E)-1-(3-methylbutan-2-ylideneamino)prop-1-en-2-yl]ethane-1,2-diamine;ethane has a molecular weight of 241.42 g/mol, XLogP of 3.14, 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;ethane is sourced from PubChem (CID 142358667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).