(1,6-diamino-6-iminohexylidene)azanium

C6H15N4+ — CID 156621618

IUPAC(1,6-diamino-6-iminohexylidene)azanium
SMILES[H]/N=C(\N)CCCCC(N)=[NH2+]
InChIInChI=1S/C6H14N4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H3,7,8)(H3,9,10)/p+1
InChIKeyPMYAHBSDMSMANK-UHFFFAOYSA-O
MW143.21 g/mol
LogP-1.40
Rot. Bonds5

About (1,6-diamino-6-iminohexylidene)azanium

(1,6-diamino-6-iminohexylidene)azanium (PubChem CID 156621618) has the molecular formula C6H15N4+ and a molecular weight of 143.21 g/mol. Its IUPAC name is (1,6-diamino-6-iminohexylidene)azanium.

Molecular Properties

Compound Name(1,6-diamino-6-iminohexylidene)azanium
PubChem CID156621618
Molecular FormulaC6H15N4+
Molecular Weight143.21 g/mol
Exact Mass143.13
IUPAC Name(1,6-diamino-6-iminohexylidene)azanium
SMILES[H]/N=C(\N)CCCCC(N)=[NH2+]
InChIInChI=1S/C6H14N4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H3,7,8)(H3,9,10)/p+1
InChIKeyPMYAHBSDMSMANK-UHFFFAOYSA-O
XLogP-1.40
TPSA101.48 Ų
H-Bond Donors4
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.21
LogP ≤ 5-1.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze (1,6-diamino-6-iminohexylidene)azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1,6-diamino-6-iminohexylidene)azanium?
The IUPAC name of (1,6-diamino-6-iminohexylidene)azanium (CID 156621618) is (1,6-diamino-6-iminohexylidene)azanium.
What is the SMILES notation for (1,6-diamino-6-iminohexylidene)azanium?
The canonical SMILES for (1,6-diamino-6-iminohexylidene)azanium is [H]/N=C(\N)CCCCC(N)=[NH2+].
What is the InChIKey of (1,6-diamino-6-iminohexylidene)azanium?
The InChIKey is PMYAHBSDMSMANK-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H14N4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H3,7,8)(H3,9,10)/p+1.
What are the key properties of (1,6-diamino-6-iminohexylidene)azanium?
(1,6-diamino-6-iminohexylidene)azanium has a molecular weight of 143.21 g/mol, XLogP of -1.40, 5 rotatable bonds, 4 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1,6-diamino-6-iminohexylidene)azanium is sourced from PubChem (CID 156621618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).