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

C10H23N5 — CID 57345804

IUPACN'-[6-[(N'-methylcarbamimidoyl)amino]hexyl]ethanimidamide
SMILESC/N=C(\N)NCCCCCC/N=C(\C)N
InChIInChI=1S/C10H23N5/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)
InChIKeySAGIGHPRUJPLKX-UHFFFAOYSA-N
MW213.33 g/mol
LogP0.46
Rot. Bonds7

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

N'-[6-[(N'-methylcarbamimidoyl)amino]hexyl]ethanimidamide (PubChem CID 57345804) has the molecular formula C10H23N5 and a molecular weight of 213.33 g/mol. Its IUPAC name is N'-[6-[(N'-methylcarbamimidoyl)amino]hexyl]ethanimidamide.

Molecular Properties

Compound NameN'-[6-[(N'-methylcarbamimidoyl)amino]hexyl]ethanimidamide
PubChem CID57345804
Molecular FormulaC10H23N5
Molecular Weight213.33 g/mol
Exact Mass213.20
IUPAC NameN'-[6-[(N'-methylcarbamimidoyl)amino]hexyl]ethanimidamide
SMILESC/N=C(\N)NCCCCCC/N=C(\C)N
InChIInChI=1S/C10H23N5/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)
InChIKeySAGIGHPRUJPLKX-UHFFFAOYSA-N
XLogP0.46
TPSA88.79 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.33
LogP ≤ 50.46
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?
The IUPAC name of N'-[6-[(N'-methylcarbamimidoyl)amino]hexyl]ethanimidamide (CID 57345804) is N'-[6-[(N'-methylcarbamimidoyl)amino]hexyl]ethanimidamide.
What is the SMILES notation for N'-[6-[(N'-methylcarbamimidoyl)amino]hexyl]ethanimidamide?
The canonical SMILES for N'-[6-[(N'-methylcarbamimidoyl)amino]hexyl]ethanimidamide is C/N=C(\N)NCCCCCC/N=C(\C)N.
What is the InChIKey of N'-[6-[(N'-methylcarbamimidoyl)amino]hexyl]ethanimidamide?
The InChIKey is SAGIGHPRUJPLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N5/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).
What are the key properties of N'-[6-[(N'-methylcarbamimidoyl)amino]hexyl]ethanimidamide?
N'-[6-[(N'-methylcarbamimidoyl)amino]hexyl]ethanimidamide has a molecular weight of 213.33 g/mol, XLogP of 0.46, 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 is sourced from PubChem (CID 57345804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).