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

C13H27N3 — CID 142358656

IUPACN,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
InChIInChI=1S/C13H27N3/c1-11(2)13(4)14-10-12(3)16(7)9-8-15(5)6/h10-11H,8-9H2,1-7H3/b12-10+,14-13+
InChIKeyXCSDNNIOGISNDP-HBKPYOMSSA-N
MW225.38 g/mol
LogP2.46
Rot. Bonds6

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

N,N,N'-trimethyl-N'-[(E)-1-(3-methylbutan-2-ylideneamino)prop-1-en-2-yl]ethane-1,2-diamine (PubChem CID 142358656) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is N,N,N'-trimethyl-N'-[(E)-1-(3-methylbutan-2-ylideneamino)prop-1-en-2-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N,N'-trimethyl-N'-[(E)-1-(3-methylbutan-2-ylideneamino)prop-1-en-2-yl]ethane-1,2-diamine
PubChem CID142358656
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC NameN,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
InChIInChI=1S/C13H27N3/c1-11(2)13(4)14-10-12(3)16(7)9-8-15(5)6/h10-11H,8-9H2,1-7H3/b12-10+,14-13+
InChIKeyXCSDNNIOGISNDP-HBKPYOMSSA-N
XLogP2.46
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.46
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
1-[Butan-2-ylidene(methyl)azaniumyl]prop-1-en-2-yl-trimethylazanium
CID 123900068
ethane;N,N,N'-trimethyl-N'-[(E)-1-(3-methylbutan-2-ylideneamino)prop-1-en-2-yl]ethane-1,2-diamine
CID 142358655
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'-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 N,N,N'-trimethyl-N'-[(E)-1-(3-methylbutan-2-ylideneamino)prop-1-en-2-yl]ethane-1,2-diamine?
The IUPAC name of N,N,N'-trimethyl-N'-[(E)-1-(3-methylbutan-2-ylideneamino)prop-1-en-2-yl]ethane-1,2-diamine (CID 142358656) is 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 N,N,N'-trimethyl-N'-[(E)-1-(3-methylbutan-2-ylideneamino)prop-1-en-2-yl]ethane-1,2-diamine?
The canonical SMILES for 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.
What is the InChIKey of N,N,N'-trimethyl-N'-[(E)-1-(3-methylbutan-2-ylideneamino)prop-1-en-2-yl]ethane-1,2-diamine?
The InChIKey is XCSDNNIOGISNDP-HBKPYOMSSA-N. The full InChI is InChI=1S/C13H27N3/c1-11(2)13(4)14-10-12(3)16(7)9-8-15(5)6/h10-11H,8-9H2,1-7H3/b12-10+,14-13+.
What are the key properties of N,N,N'-trimethyl-N'-[(E)-1-(3-methylbutan-2-ylideneamino)prop-1-en-2-yl]ethane-1,2-diamine?
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 225.38 g/mol, XLogP of 2.46, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 142358656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).