N'-[6-[(N'-methylcarbamimidoyl)amino]hexyl]ethanimidamide;hydrochloride

C10H24ClN5 — CID 75530400

IUPACN'-[6-[(N'-methylcarbamimidoyl)amino]hexyl]ethanimidamide;hydrochloride
SMILESC/N=C(\N)NCCCCCC/N=C(\C)N.Cl
InChIInChI=1S/C10H23N5.ClH/c1-9(11)14-7-5-3-4-6-8-15-10(12)13-2;/h3-8H2,1-2H3,(H2,11,14)(H3,12,13,15);1H
InChIKeyAJJCIRNNNHFGEQ-UHFFFAOYSA-N
MW249.79 g/mol
LogP0.88
Rot. Bonds7

About N'-[6-[(N'-methylcarbamimidoyl)amino]hexyl]ethanimidamide;hydrochloride

N'-[6-[(N'-methylcarbamimidoyl)amino]hexyl]ethanimidamide;hydrochloride (PubChem CID 75530400) has the molecular formula C10H24ClN5 and a molecular weight of 249.79 g/mol. Its IUPAC name is N'-[6-[(N'-methylcarbamimidoyl)amino]hexyl]ethanimidamide;hydrochloride.

Molecular Properties

Compound NameN'-[6-[(N'-methylcarbamimidoyl)amino]hexyl]ethanimidamide;hydrochloride
PubChem CID75530400
Molecular FormulaC10H24ClN5
Molecular Weight249.79 g/mol
Exact Mass249.17
IUPAC NameN'-[6-[(N'-methylcarbamimidoyl)amino]hexyl]ethanimidamide;hydrochloride
SMILESC/N=C(\N)NCCCCCC/N=C(\C)N.Cl
InChIInChI=1S/C10H23N5.ClH/c1-9(11)14-7-5-3-4-6-8-15-10(12)13-2;/h3-8H2,1-2H3,(H2,11,14)(H3,12,13,15);1H
InChIKeyAJJCIRNNNHFGEQ-UHFFFAOYSA-N
XLogP0.88
TPSA88.79 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.79
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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'-[6-[(N'-methylcarbamimidoyl)amino]hexyl]ethanimidamide;hydrochloride?
The IUPAC name of N'-[6-[(N'-methylcarbamimidoyl)amino]hexyl]ethanimidamide;hydrochloride (CID 75530400) is N'-[6-[(N'-methylcarbamimidoyl)amino]hexyl]ethanimidamide;hydrochloride.
What is the SMILES notation for N'-[6-[(N'-methylcarbamimidoyl)amino]hexyl]ethanimidamide;hydrochloride?
The canonical SMILES for N'-[6-[(N'-methylcarbamimidoyl)amino]hexyl]ethanimidamide;hydrochloride is C/N=C(\N)NCCCCCC/N=C(\C)N.Cl.
What is the InChIKey of N'-[6-[(N'-methylcarbamimidoyl)amino]hexyl]ethanimidamide;hydrochloride?
The InChIKey is AJJCIRNNNHFGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N5.ClH/c1-9(11)14-7-5-3-4-6-8-15-10(12)13-2;/h3-8H2,1-2H3,(H2,11,14)(H3,12,13,15);1H.
What are the key properties of N'-[6-[(N'-methylcarbamimidoyl)amino]hexyl]ethanimidamide;hydrochloride?
N'-[6-[(N'-methylcarbamimidoyl)amino]hexyl]ethanimidamide;hydrochloride has a molecular weight of 249.79 g/mol, XLogP of 0.88, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-[(N'-methylcarbamimidoyl)amino]hexyl]ethanimidamide;hydrochloride is sourced from PubChem (CID 75530400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).