(Z)-4-N-ethyl-1-N,4-N-dimethylhex-4-ene-1,4,5-triamine

C10H23N3 — CID 89122186

IUPAC(Z)-4-N-ethyl-1-N,4-N-dimethylhex-4-ene-1,4,5-triamine
SMILESCCN(C)/C(CCCNC)=C(/C)N
InChIInChI=1S/C10H23N3/c1-5-13(4)10(9(2)11)7-6-8-12-3/h12H,5-8,11H2,1-4H3/b10-9-
InChIKeyJDPCFVDIQLZEOV-KTKRTIGZSA-N
MW185.31 g/mol
LogP1.13
Rot. Bonds6

About (Z)-4-N-ethyl-1-N,4-N-dimethylhex-4-ene-1,4,5-triamine

(Z)-4-N-ethyl-1-N,4-N-dimethylhex-4-ene-1,4,5-triamine (PubChem CID 89122186) has the molecular formula C10H23N3 and a molecular weight of 185.31 g/mol. Its IUPAC name is (Z)-4-N-ethyl-1-N,4-N-dimethylhex-4-ene-1,4,5-triamine.

Molecular Properties

Compound Name(Z)-4-N-ethyl-1-N,4-N-dimethylhex-4-ene-1,4,5-triamine
PubChem CID89122186
Molecular FormulaC10H23N3
Molecular Weight185.31 g/mol
Exact Mass185.19
IUPAC Name(Z)-4-N-ethyl-1-N,4-N-dimethylhex-4-ene-1,4,5-triamine
SMILESCCN(C)/C(CCCNC)=C(/C)N
InChIInChI=1S/C10H23N3/c1-5-13(4)10(9(2)11)7-6-8-12-3/h12H,5-8,11H2,1-4H3/b10-9-
InChIKeyJDPCFVDIQLZEOV-KTKRTIGZSA-N
XLogP1.13
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-N-ethyl-1-N,4-N-dimethylhex-4-ene-1,4,5-triamine?
The IUPAC name of (Z)-4-N-ethyl-1-N,4-N-dimethylhex-4-ene-1,4,5-triamine (CID 89122186) is (Z)-4-N-ethyl-1-N,4-N-dimethylhex-4-ene-1,4,5-triamine.
What is the SMILES notation for (Z)-4-N-ethyl-1-N,4-N-dimethylhex-4-ene-1,4,5-triamine?
The canonical SMILES for (Z)-4-N-ethyl-1-N,4-N-dimethylhex-4-ene-1,4,5-triamine is CCN(C)/C(CCCNC)=C(/C)N.
What is the InChIKey of (Z)-4-N-ethyl-1-N,4-N-dimethylhex-4-ene-1,4,5-triamine?
The InChIKey is JDPCFVDIQLZEOV-KTKRTIGZSA-N. The full InChI is InChI=1S/C10H23N3/c1-5-13(4)10(9(2)11)7-6-8-12-3/h12H,5-8,11H2,1-4H3/b10-9-.
What are the key properties of (Z)-4-N-ethyl-1-N,4-N-dimethylhex-4-ene-1,4,5-triamine?
(Z)-4-N-ethyl-1-N,4-N-dimethylhex-4-ene-1,4,5-triamine has a molecular weight of 185.31 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-N-ethyl-1-N,4-N-dimethylhex-4-ene-1,4,5-triamine is sourced from PubChem (CID 89122186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).