(Z)-3-[amino(ethyl)amino]hex-2-ene-1,2,6-triamine

C8H21N5 — CID 126702023

IUPAC(Z)-3-[amino(ethyl)amino]hex-2-ene-1,2,6-triamine
SMILESCCN(N)/C(CCCN)=C(\N)CN
InChIInChI=1S/C8H21N5/c1-2-13(12)8(4-3-5-9)7(11)6-10/h2-6,9-12H2,1H3/b8-7-
InChIKeyBAPGSEGDNONDEV-FPLPWBNLSA-N
MW187.29 g/mol
LogP-0.95
Rot. Bonds6

About (Z)-3-[amino(ethyl)amino]hex-2-ene-1,2,6-triamine

(Z)-3-[amino(ethyl)amino]hex-2-ene-1,2,6-triamine (PubChem CID 126702023) has the molecular formula C8H21N5 and a molecular weight of 187.29 g/mol. Its IUPAC name is (Z)-3-[amino(ethyl)amino]hex-2-ene-1,2,6-triamine.

Molecular Properties

Compound Name(Z)-3-[amino(ethyl)amino]hex-2-ene-1,2,6-triamine
PubChem CID126702023
Molecular FormulaC8H21N5
Molecular Weight187.29 g/mol
Exact Mass187.18
IUPAC Name(Z)-3-[amino(ethyl)amino]hex-2-ene-1,2,6-triamine
SMILESCCN(N)/C(CCCN)=C(\N)CN
InChIInChI=1S/C8H21N5/c1-2-13(12)8(4-3-5-9)7(11)6-10/h2-6,9-12H2,1H3/b8-7-
InChIKeyBAPGSEGDNONDEV-FPLPWBNLSA-N
XLogP-0.95
TPSA107.32 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 5-0.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-[amino(ethyl)amino]hex-2-ene-1,2,6-triamine?
The IUPAC name of (Z)-3-[amino(ethyl)amino]hex-2-ene-1,2,6-triamine (CID 126702023) is (Z)-3-[amino(ethyl)amino]hex-2-ene-1,2,6-triamine.
What is the SMILES notation for (Z)-3-[amino(ethyl)amino]hex-2-ene-1,2,6-triamine?
The canonical SMILES for (Z)-3-[amino(ethyl)amino]hex-2-ene-1,2,6-triamine is CCN(N)/C(CCCN)=C(\N)CN.
What is the InChIKey of (Z)-3-[amino(ethyl)amino]hex-2-ene-1,2,6-triamine?
The InChIKey is BAPGSEGDNONDEV-FPLPWBNLSA-N. The full InChI is InChI=1S/C8H21N5/c1-2-13(12)8(4-3-5-9)7(11)6-10/h2-6,9-12H2,1H3/b8-7-.
What are the key properties of (Z)-3-[amino(ethyl)amino]hex-2-ene-1,2,6-triamine?
(Z)-3-[amino(ethyl)amino]hex-2-ene-1,2,6-triamine has a molecular weight of 187.29 g/mol, XLogP of -0.95, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[amino(ethyl)amino]hex-2-ene-1,2,6-triamine is sourced from PubChem (CID 126702023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).