(3E)-2-N,4-N-dimethyl-4-N-[2-(methylamino)ethyl]penta-1,3-diene-2,4-diamine

C10H21N3 — CID 134310081

IUPAC(3E)-2-N,4-N-dimethyl-4-N-[2-(methylamino)ethyl]penta-1,3-diene-2,4-diamine
SMILESC=C(/C=C(\C)N(C)CCNC)NC
InChIInChI=1S/C10H21N3/c1-9(12-4)8-10(2)13(5)7-6-11-3/h8,11-12H,1,6-7H2,2-5H3/b10-8+
InChIKeyJSKKBQVZCFLTAQ-CSKARUKUSA-N
MW183.30 g/mol
LogP0.77
Rot. Bonds6

About (3E)-2-N,4-N-dimethyl-4-N-[2-(methylamino)ethyl]penta-1,3-diene-2,4-diamine

(3E)-2-N,4-N-dimethyl-4-N-[2-(methylamino)ethyl]penta-1,3-diene-2,4-diamine (PubChem CID 134310081) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is (3E)-2-N,4-N-dimethyl-4-N-[2-(methylamino)ethyl]penta-1,3-diene-2,4-diamine.

Molecular Properties

Compound Name(3E)-2-N,4-N-dimethyl-4-N-[2-(methylamino)ethyl]penta-1,3-diene-2,4-diamine
PubChem CID134310081
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC Name(3E)-2-N,4-N-dimethyl-4-N-[2-(methylamino)ethyl]penta-1,3-diene-2,4-diamine
SMILESC=C(/C=C(\C)N(C)CCNC)NC
InChIInChI=1S/C10H21N3/c1-9(12-4)8-10(2)13(5)7-6-11-3/h8,11-12H,1,6-7H2,2-5H3/b10-8+
InChIKeyJSKKBQVZCFLTAQ-CSKARUKUSA-N
XLogP0.77
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-2-N,4-N-dimethyl-4-N-[2-(methylamino)ethyl]penta-1,3-diene-2,4-diamine?
The IUPAC name of (3E)-2-N,4-N-dimethyl-4-N-[2-(methylamino)ethyl]penta-1,3-diene-2,4-diamine (CID 134310081) is (3E)-2-N,4-N-dimethyl-4-N-[2-(methylamino)ethyl]penta-1,3-diene-2,4-diamine.
What is the SMILES notation for (3E)-2-N,4-N-dimethyl-4-N-[2-(methylamino)ethyl]penta-1,3-diene-2,4-diamine?
The canonical SMILES for (3E)-2-N,4-N-dimethyl-4-N-[2-(methylamino)ethyl]penta-1,3-diene-2,4-diamine is C=C(/C=C(\C)N(C)CCNC)NC.
What is the InChIKey of (3E)-2-N,4-N-dimethyl-4-N-[2-(methylamino)ethyl]penta-1,3-diene-2,4-diamine?
The InChIKey is JSKKBQVZCFLTAQ-CSKARUKUSA-N. The full InChI is InChI=1S/C10H21N3/c1-9(12-4)8-10(2)13(5)7-6-11-3/h8,11-12H,1,6-7H2,2-5H3/b10-8+.
What are the key properties of (3E)-2-N,4-N-dimethyl-4-N-[2-(methylamino)ethyl]penta-1,3-diene-2,4-diamine?
(3E)-2-N,4-N-dimethyl-4-N-[2-(methylamino)ethyl]penta-1,3-diene-2,4-diamine has a molecular weight of 183.30 g/mol, XLogP of 0.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-2-N,4-N-dimethyl-4-N-[2-(methylamino)ethyl]penta-1,3-diene-2,4-diamine is sourced from PubChem (CID 134310081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).