diamino-(6-amino-3-chlorohexyl)-ethenylazanium

C8H20ClN4+ — CID 57289996

IUPACdiamino-(6-amino-3-chlorohexyl)-ethenylazanium
SMILESC=C[N+](N)(N)CCC(Cl)CCCN
InChIInChI=1S/C8H20ClN4/c1-2-13(11,12)7-5-8(9)4-3-6-10/h2,8H,1,3-7,10-12H2/q+1
InChIKeyGMUQIKCYIFUEJV-UHFFFAOYSA-N
MW207.73 g/mol
LogP0.43
Rot. Bonds7

About diamino-(6-amino-3-chlorohexyl)-ethenylazanium

diamino-(6-amino-3-chlorohexyl)-ethenylazanium (PubChem CID 57289996) has the molecular formula C8H20ClN4+ and a molecular weight of 207.73 g/mol. Its IUPAC name is diamino-(6-amino-3-chlorohexyl)-ethenylazanium.

Molecular Properties

Compound Namediamino-(6-amino-3-chlorohexyl)-ethenylazanium
PubChem CID57289996
Molecular FormulaC8H20ClN4+
Molecular Weight207.73 g/mol
Exact Mass207.14
IUPAC Namediamino-(6-amino-3-chlorohexyl)-ethenylazanium
SMILESC=C[N+](N)(N)CCC(Cl)CCCN
InChIInChI=1S/C8H20ClN4/c1-2-13(11,12)7-5-8(9)4-3-6-10/h2,8H,1,3-7,10-12H2/q+1
InChIKeyGMUQIKCYIFUEJV-UHFFFAOYSA-N
XLogP0.43
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.73
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

diamino-(6-amino-3-chlorohexyl)-ethenylazanium;chloride;trihydrochloride
CID 173334519
2-chloro-N-methylpentane-1,5-diamine
CID 163782242
4-prop-2-enylhept-6-en-1-amine;hydrochloride
CID 87790253
3-aminopropyl-dimethyl-prop-2-enoylazanium
CID 87384189
5-amino-2-methylpentanethial
CID 88838676
tridecane-1,4,7,10,13-pentamine
CID 86224803
2-chlorobutane-1,4-diamine
CID 18330832
heptane-1,4,7-triamine;tetrahydrochloride
CID 172714614
3-aminopropyl(tributyl)phosphanium;hydrobromide
CID 175805466
(2S)-5-amino-2-methylpentan-1-ol
CID 94975378
(2S)-5-amino-2-(ethenylamino)pentanoic acid
CID 172797723
2-prop-2-enylhexane-1,6-diamine
CID 89126683

Frequently Asked Questions

What is the IUPAC name of diamino-(6-amino-3-chlorohexyl)-ethenylazanium?
The IUPAC name of diamino-(6-amino-3-chlorohexyl)-ethenylazanium (CID 57289996) is diamino-(6-amino-3-chlorohexyl)-ethenylazanium.
What is the SMILES notation for diamino-(6-amino-3-chlorohexyl)-ethenylazanium?
The canonical SMILES for diamino-(6-amino-3-chlorohexyl)-ethenylazanium is C=C[N+](N)(N)CCC(Cl)CCCN.
What is the InChIKey of diamino-(6-amino-3-chlorohexyl)-ethenylazanium?
The InChIKey is GMUQIKCYIFUEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20ClN4/c1-2-13(11,12)7-5-8(9)4-3-6-10/h2,8H,1,3-7,10-12H2/q+1.
What are the key properties of diamino-(6-amino-3-chlorohexyl)-ethenylazanium?
diamino-(6-amino-3-chlorohexyl)-ethenylazanium has a molecular weight of 207.73 g/mol, XLogP of 0.43, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diamino-(6-amino-3-chlorohexyl)-ethenylazanium is sourced from PubChem (CID 57289996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).