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

C15H33N3 — CID 142358655

IUPACethane;N,N,N'-trimethyl-N'-[(E)-1-(3-methylbutan-2-ylideneamino)prop-1-en-2-yl]ethane-1,2-diamine
SMILESC/C(=C\N=C(/C)C(C)C)N(C)CCN(C)C.CC
InChIInChI=1S/C13H27N3.C2H6/c1-11(2)13(4)14-10-12(3)16(7)9-8-15(5)6;1-2/h10-11H,8-9H2,1-7H3;1-2H3/b12-10+,14-13+;
InChIKeyDZRDWGNNQORXLX-RZMPGCBJSA-N
MW255.45 g/mol
LogP3.48
Rot. Bonds6

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

ethane;N,N,N'-trimethyl-N'-[(E)-1-(3-methylbutan-2-ylideneamino)prop-1-en-2-yl]ethane-1,2-diamine (PubChem CID 142358655) has the molecular formula C15H33N3 and a molecular weight of 255.45 g/mol. Its IUPAC name is ethane;N,N,N'-trimethyl-N'-[(E)-1-(3-methylbutan-2-ylideneamino)prop-1-en-2-yl]ethane-1,2-diamine.

Molecular Properties

Compound Nameethane;N,N,N'-trimethyl-N'-[(E)-1-(3-methylbutan-2-ylideneamino)prop-1-en-2-yl]ethane-1,2-diamine
PubChem CID142358655
Molecular FormulaC15H33N3
Molecular Weight255.45 g/mol
Exact Mass255.27
IUPAC Nameethane;N,N,N'-trimethyl-N'-[(E)-1-(3-methylbutan-2-ylideneamino)prop-1-en-2-yl]ethane-1,2-diamine
SMILESC/C(=C\N=C(/C)C(C)C)N(C)CCN(C)C.CC
InChIInChI=1S/C13H27N3.C2H6/c1-11(2)13(4)14-10-12(3)16(7)9-8-15(5)6;1-2/h10-11H,8-9H2,1-7H3;1-2H3/b12-10+,14-13+;
InChIKeyDZRDWGNNQORXLX-RZMPGCBJSA-N
XLogP3.48
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,6-dimethyl-3-propan-2-yl-2H-pyrazine
CID 70454200
N,N'-dimethyl-N'-[(E)-1-(3-methylbutan-2-ylideneamino)prop-1-en-2-yl]ethane-1,2-diamine;ethane
CID 142358667
(Z)-N,N-dimethyl-2-(3-methylbutan-2-ylideneamino)but-1-en-1-amine
CID 167287449
N,N,N'-trimethyl-N'-[(E)-1-(3-methylbutan-2-ylideneamino)prop-1-en-2-yl]ethane-1,2-diamine
CID 142358656
N,N'-dimethyl-N'-[(E)-1-(3-methylbutan-2-ylideneamino)prop-1-en-2-yl]ethane-1,2-diamine
CID 142358668

Frequently Asked Questions

What is the IUPAC name of ethane;N,N,N'-trimethyl-N'-[(E)-1-(3-methylbutan-2-ylideneamino)prop-1-en-2-yl]ethane-1,2-diamine?
The IUPAC name of ethane;N,N,N'-trimethyl-N'-[(E)-1-(3-methylbutan-2-ylideneamino)prop-1-en-2-yl]ethane-1,2-diamine (CID 142358655) is ethane;N,N,N'-trimethyl-N'-[(E)-1-(3-methylbutan-2-ylideneamino)prop-1-en-2-yl]ethane-1,2-diamine.
What is the SMILES notation for ethane;N,N,N'-trimethyl-N'-[(E)-1-(3-methylbutan-2-ylideneamino)prop-1-en-2-yl]ethane-1,2-diamine?
The canonical SMILES for ethane;N,N,N'-trimethyl-N'-[(E)-1-(3-methylbutan-2-ylideneamino)prop-1-en-2-yl]ethane-1,2-diamine is C/C(=C\N=C(/C)C(C)C)N(C)CCN(C)C.CC.
What is the InChIKey of ethane;N,N,N'-trimethyl-N'-[(E)-1-(3-methylbutan-2-ylideneamino)prop-1-en-2-yl]ethane-1,2-diamine?
The InChIKey is DZRDWGNNQORXLX-RZMPGCBJSA-N. The full InChI is InChI=1S/C13H27N3.C2H6/c1-11(2)13(4)14-10-12(3)16(7)9-8-15(5)6;1-2/h10-11H,8-9H2,1-7H3;1-2H3/b12-10+,14-13+;.
What are the key properties of ethane;N,N,N'-trimethyl-N'-[(E)-1-(3-methylbutan-2-ylideneamino)prop-1-en-2-yl]ethane-1,2-diamine?
ethane;N,N,N'-trimethyl-N'-[(E)-1-(3-methylbutan-2-ylideneamino)prop-1-en-2-yl]ethane-1,2-diamine has a molecular weight of 255.45 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N,N,N'-trimethyl-N'-[(E)-1-(3-methylbutan-2-ylideneamino)prop-1-en-2-yl]ethane-1,2-diamine is sourced from PubChem (CID 142358655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).