diamino-(6-aminohexyl)-prop-2-enylazanium

C9H23N4+ — CID 19371021

IUPACdiamino-(6-aminohexyl)-prop-2-enylazanium
SMILESC=CC[N+](N)(N)CCCCCCN
InChIInChI=1S/C9H23N4/c1-2-8-13(11,12)9-6-4-3-5-7-10/h2H,1,3-12H2/q+1
InChIKeyBHCRWRHXKXRZLS-UHFFFAOYSA-N
MW187.31 g/mol
LogP0.26
Rot. Bonds8

About diamino-(6-aminohexyl)-prop-2-enylazanium

diamino-(6-aminohexyl)-prop-2-enylazanium (PubChem CID 19371021) has the molecular formula C9H23N4+ and a molecular weight of 187.31 g/mol. Its IUPAC name is diamino-(6-aminohexyl)-prop-2-enylazanium.

Molecular Properties

Compound Namediamino-(6-aminohexyl)-prop-2-enylazanium
PubChem CID19371021
Molecular FormulaC9H23N4+
Molecular Weight187.31 g/mol
Exact Mass187.19
IUPAC Namediamino-(6-aminohexyl)-prop-2-enylazanium
SMILESC=CC[N+](N)(N)CCCCCCN
InChIInChI=1S/C9H23N4/c1-2-8-13(11,12)9-6-4-3-5-7-10/h2H,1,3-12H2/q+1
InChIKeyBHCRWRHXKXRZLS-UHFFFAOYSA-N
XLogP0.26
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.31
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diamino-(6-aminohexyl)-prop-2-enylazanium?
The IUPAC name of diamino-(6-aminohexyl)-prop-2-enylazanium (CID 19371021) is diamino-(6-aminohexyl)-prop-2-enylazanium.
What is the SMILES notation for diamino-(6-aminohexyl)-prop-2-enylazanium?
The canonical SMILES for diamino-(6-aminohexyl)-prop-2-enylazanium is C=CC[N+](N)(N)CCCCCCN.
What is the InChIKey of diamino-(6-aminohexyl)-prop-2-enylazanium?
The InChIKey is BHCRWRHXKXRZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23N4/c1-2-8-13(11,12)9-6-4-3-5-7-10/h2H,1,3-12H2/q+1.
What are the key properties of diamino-(6-aminohexyl)-prop-2-enylazanium?
diamino-(6-aminohexyl)-prop-2-enylazanium has a molecular weight of 187.31 g/mol, XLogP of 0.26, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diamino-(6-aminohexyl)-prop-2-enylazanium is sourced from PubChem (CID 19371021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).