(2S)-2,6-diaminohexanimidamide

C6H16N4 — CID 123419427

IUPAC(2S)-2,6-diaminohexanimidamide
SMILES[H]/N=C(\N)[C@@H](N)CCCCN
InChIInChI=1S/C6H16N4/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H3,9,10)/t5-/m0/s1
InChIKeyJNYJYQOXLDCYHY-YFKPBYRVSA-N
MW144.22 g/mol
LogP-0.62
Rot. Bonds5

About (2S)-2,6-diaminohexanimidamide

(2S)-2,6-diaminohexanimidamide (PubChem CID 123419427) has the molecular formula C6H16N4 and a molecular weight of 144.22 g/mol. Its IUPAC name is (2S)-2,6-diaminohexanimidamide.

Molecular Properties

Compound Name(2S)-2,6-diaminohexanimidamide
PubChem CID123419427
Molecular FormulaC6H16N4
Molecular Weight144.22 g/mol
Exact Mass144.14
IUPAC Name(2S)-2,6-diaminohexanimidamide
SMILES[H]/N=C(\N)[C@@H](N)CCCCN
InChIInChI=1S/C6H16N4/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H3,9,10)/t5-/m0/s1
InChIKeyJNYJYQOXLDCYHY-YFKPBYRVSA-N
XLogP-0.62
TPSA101.91 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 5-0.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2,6-diaminohexanimidamide?
The IUPAC name of (2S)-2,6-diaminohexanimidamide (CID 123419427) is (2S)-2,6-diaminohexanimidamide.
What is the SMILES notation for (2S)-2,6-diaminohexanimidamide?
The canonical SMILES for (2S)-2,6-diaminohexanimidamide is [H]/N=C(\N)[C@@H](N)CCCCN.
What is the InChIKey of (2S)-2,6-diaminohexanimidamide?
The InChIKey is JNYJYQOXLDCYHY-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H16N4/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H3,9,10)/t5-/m0/s1.
What are the key properties of (2S)-2,6-diaminohexanimidamide?
(2S)-2,6-diaminohexanimidamide has a molecular weight of 144.22 g/mol, XLogP of -0.62, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,6-diaminohexanimidamide is sourced from PubChem (CID 123419427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).