N'-[(5S)-5-amino-6-(diaminomethylideneamino)hexyl]ethanimidamide

C9H22N6 — CID 10220010

IUPACN'-[(5S)-5-amino-6-(diaminomethylideneamino)hexyl]ethanimidamide
SMILESC/C(N)=N\CCCC[C@H](N)CN=C(N)N
InChIInChI=1S/C9H22N6/c1-7(10)14-5-3-2-4-8(11)6-15-9(12)13/h8H,2-6,11H2,1H3,(H2,10,14)(H4,12,13,15)/t8-/m0/s1
InChIKeyDWJATISWQQUMOH-QMMMGPOBSA-N
MW214.32 g/mol
LogP-0.87
Rot. Bonds7

About N'-[(5S)-5-amino-6-(diaminomethylideneamino)hexyl]ethanimidamide

N'-[(5S)-5-amino-6-(diaminomethylideneamino)hexyl]ethanimidamide (PubChem CID 10220010) has the molecular formula C9H22N6 and a molecular weight of 214.32 g/mol. Its IUPAC name is N'-[(5S)-5-amino-6-(diaminomethylideneamino)hexyl]ethanimidamide.

Molecular Properties

Compound NameN'-[(5S)-5-amino-6-(diaminomethylideneamino)hexyl]ethanimidamide
PubChem CID10220010
Molecular FormulaC9H22N6
Molecular Weight214.32 g/mol
Exact Mass214.19
IUPAC NameN'-[(5S)-5-amino-6-(diaminomethylideneamino)hexyl]ethanimidamide
SMILESC/C(N)=N\CCCC[C@H](N)CN=C(N)N
InChIInChI=1S/C9H22N6/c1-7(10)14-5-3-2-4-8(11)6-15-9(12)13/h8H,2-6,11H2,1H3,(H2,10,14)(H4,12,13,15)/t8-/m0/s1
InChIKeyDWJATISWQQUMOH-QMMMGPOBSA-N
XLogP-0.87
TPSA128.80 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.32
LogP ≤ 5-0.87
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 N'-[(5S)-5-amino-6-(diaminomethylideneamino)hexyl]ethanimidamide?
The IUPAC name of N'-[(5S)-5-amino-6-(diaminomethylideneamino)hexyl]ethanimidamide (CID 10220010) is N'-[(5S)-5-amino-6-(diaminomethylideneamino)hexyl]ethanimidamide.
What is the SMILES notation for N'-[(5S)-5-amino-6-(diaminomethylideneamino)hexyl]ethanimidamide?
The canonical SMILES for N'-[(5S)-5-amino-6-(diaminomethylideneamino)hexyl]ethanimidamide is C/C(N)=N\CCCC[C@H](N)CN=C(N)N.
What is the InChIKey of N'-[(5S)-5-amino-6-(diaminomethylideneamino)hexyl]ethanimidamide?
The InChIKey is DWJATISWQQUMOH-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H22N6/c1-7(10)14-5-3-2-4-8(11)6-15-9(12)13/h8H,2-6,11H2,1H3,(H2,10,14)(H4,12,13,15)/t8-/m0/s1.
What are the key properties of N'-[(5S)-5-amino-6-(diaminomethylideneamino)hexyl]ethanimidamide?
N'-[(5S)-5-amino-6-(diaminomethylideneamino)hexyl]ethanimidamide has a molecular weight of 214.32 g/mol, XLogP of -0.87, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5S)-5-amino-6-(diaminomethylideneamino)hexyl]ethanimidamide is sourced from PubChem (CID 10220010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).