(3E)-2-methyl-4-[methyl(methylamino)amino]octa-1,3-dien-3-amine

C11H23N3 — CID 126628318

IUPAC(3E)-2-methyl-4-[methyl(methylamino)amino]octa-1,3-dien-3-amine
SMILESC=C(C)/C(N)=C(/CCCC)N(C)NC
InChIInChI=1S/C11H23N3/c1-6-7-8-10(14(5)13-4)11(12)9(2)3/h13H,2,6-8,12H2,1,3-5H3/b11-10+
InChIKeyQPCHFZXZOOSQKJ-ZHACJKMWSA-N
MW197.33 g/mol
LogP1.99
Rot. Bonds6

About (3E)-2-methyl-4-[methyl(methylamino)amino]octa-1,3-dien-3-amine

(3E)-2-methyl-4-[methyl(methylamino)amino]octa-1,3-dien-3-amine (PubChem CID 126628318) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is (3E)-2-methyl-4-[methyl(methylamino)amino]octa-1,3-dien-3-amine.

Molecular Properties

Compound Name(3E)-2-methyl-4-[methyl(methylamino)amino]octa-1,3-dien-3-amine
PubChem CID126628318
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name(3E)-2-methyl-4-[methyl(methylamino)amino]octa-1,3-dien-3-amine
SMILESC=C(C)/C(N)=C(/CCCC)N(C)NC
InChIInChI=1S/C11H23N3/c1-6-7-8-10(14(5)13-4)11(12)9(2)3/h13H,2,6-8,12H2,1,3-5H3/b11-10+
InChIKeyQPCHFZXZOOSQKJ-ZHACJKMWSA-N
XLogP1.99
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-2-methyl-4-[methyl(methylamino)amino]octa-1,3-dien-3-amine?
The IUPAC name of (3E)-2-methyl-4-[methyl(methylamino)amino]octa-1,3-dien-3-amine (CID 126628318) is (3E)-2-methyl-4-[methyl(methylamino)amino]octa-1,3-dien-3-amine.
What is the SMILES notation for (3E)-2-methyl-4-[methyl(methylamino)amino]octa-1,3-dien-3-amine?
The canonical SMILES for (3E)-2-methyl-4-[methyl(methylamino)amino]octa-1,3-dien-3-amine is C=C(C)/C(N)=C(/CCCC)N(C)NC.
What is the InChIKey of (3E)-2-methyl-4-[methyl(methylamino)amino]octa-1,3-dien-3-amine?
The InChIKey is QPCHFZXZOOSQKJ-ZHACJKMWSA-N. The full InChI is InChI=1S/C11H23N3/c1-6-7-8-10(14(5)13-4)11(12)9(2)3/h13H,2,6-8,12H2,1,3-5H3/b11-10+.
What are the key properties of (3E)-2-methyl-4-[methyl(methylamino)amino]octa-1,3-dien-3-amine?
(3E)-2-methyl-4-[methyl(methylamino)amino]octa-1,3-dien-3-amine has a molecular weight of 197.33 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-2-methyl-4-[methyl(methylamino)amino]octa-1,3-dien-3-amine is sourced from PubChem (CID 126628318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).