(E)-1-N-(2-aminoethyl)hex-1-ene-1,2,6-triamine

C8H20N4 — CID 163501302

IUPAC(E)-1-N-(2-aminoethyl)hex-1-ene-1,2,6-triamine
SMILESNCCCC/C(N)=C\NCCN
InChIInChI=1S/C8H20N4/c9-4-2-1-3-8(11)7-12-6-5-10/h7,12H,1-6,9-11H2/b8-7+
InChIKeyCUZJLQAZQFPCQG-BQYQJAHWSA-N
MW172.28 g/mol
LogP-0.54
Rot. Bonds7

About (E)-1-N-(2-aminoethyl)hex-1-ene-1,2,6-triamine

(E)-1-N-(2-aminoethyl)hex-1-ene-1,2,6-triamine (PubChem CID 163501302) has the molecular formula C8H20N4 and a molecular weight of 172.28 g/mol. Its IUPAC name is (E)-1-N-(2-aminoethyl)hex-1-ene-1,2,6-triamine.

Molecular Properties

Compound Name(E)-1-N-(2-aminoethyl)hex-1-ene-1,2,6-triamine
PubChem CID163501302
Molecular FormulaC8H20N4
Molecular Weight172.28 g/mol
Exact Mass172.17
IUPAC Name(E)-1-N-(2-aminoethyl)hex-1-ene-1,2,6-triamine
SMILESNCCCC/C(N)=C\NCCN
InChIInChI=1S/C8H20N4/c9-4-2-1-3-8(11)7-12-6-5-10/h7,12H,1-6,9-11H2/b8-7+
InChIKeyCUZJLQAZQFPCQG-BQYQJAHWSA-N
XLogP-0.54
TPSA90.09 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.28
LogP ≤ 5-0.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[[(Z)-2,4-diaminobut-1-enyl]amino]hexanal
CID 177012831
5-amino-N-[2-(carbamoylamino)ethyl]pentanamide
CID 83110523
(Z)-5,9-diaminonon-4-enoic acid
CID 88573800
6-amino-N-(5-amino-5-oxopentyl)hexanamide
CID 106235898
(Z)-1-N-butylbut-1-ene-1,2-diamine
CID 89423633
N,N'-bis(12-aminododecyl)octanediamide
CID 58602052
6-amino-N-(7-aminoheptyl)hexanamide
CID 56980494
ethane;(Z)-1-N-methylbut-1-ene-1,2,4-triamine
CID 142951523
16-aminohexadecanamide
CID 86033165
ethane;methyl N-[2-[[(Z)-2-amino-3-(2-aminoethylamino)prop-1-enyl]amino]ethyl]carbamate
CID 165117108
14-amino-N-hydroxytetradecanamide
CID 87686192
20-amino-N-hydroxyicosanamide
CID 87686702

Frequently Asked Questions

What is the IUPAC name of (E)-1-N-(2-aminoethyl)hex-1-ene-1,2,6-triamine?
The IUPAC name of (E)-1-N-(2-aminoethyl)hex-1-ene-1,2,6-triamine (CID 163501302) is (E)-1-N-(2-aminoethyl)hex-1-ene-1,2,6-triamine.
What is the SMILES notation for (E)-1-N-(2-aminoethyl)hex-1-ene-1,2,6-triamine?
The canonical SMILES for (E)-1-N-(2-aminoethyl)hex-1-ene-1,2,6-triamine is NCCCC/C(N)=C\NCCN.
What is the InChIKey of (E)-1-N-(2-aminoethyl)hex-1-ene-1,2,6-triamine?
The InChIKey is CUZJLQAZQFPCQG-BQYQJAHWSA-N. The full InChI is InChI=1S/C8H20N4/c9-4-2-1-3-8(11)7-12-6-5-10/h7,12H,1-6,9-11H2/b8-7+.
What are the key properties of (E)-1-N-(2-aminoethyl)hex-1-ene-1,2,6-triamine?
(E)-1-N-(2-aminoethyl)hex-1-ene-1,2,6-triamine has a molecular weight of 172.28 g/mol, XLogP of -0.54, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-N-(2-aminoethyl)hex-1-ene-1,2,6-triamine is sourced from PubChem (CID 163501302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).