N'-methanimidoyl-N-pentylideneethanimidamide

C8H15N3 — CID 122435329

IUPACN'-methanimidoyl-N-pentylideneethanimidamide
SMILES[H]/N=C/N=C(C)/N=C/CCCC
InChIInChI=1S/C8H15N3/c1-3-4-5-6-10-8(2)11-7-9/h6-7,9H,3-5H2,1-2H3/b9-7+,10-6+,11-8+
InChIKeyDRLPZTFQGKUKEC-OFVXYYGZSA-N
MW153.23 g/mol
LogP2.27
Rot. Bonds4

About N'-methanimidoyl-N-pentylideneethanimidamide

N'-methanimidoyl-N-pentylideneethanimidamide (PubChem CID 122435329) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is N'-methanimidoyl-N-pentylideneethanimidamide.

Molecular Properties

Compound NameN'-methanimidoyl-N-pentylideneethanimidamide
PubChem CID122435329
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC NameN'-methanimidoyl-N-pentylideneethanimidamide
SMILES[H]/N=C/N=C(C)/N=C/CCCC
InChIInChI=1S/C8H15N3/c1-3-4-5-6-10-8(2)11-7-9/h6-7,9H,3-5H2,1-2H3/b9-7+,10-6+,11-8+
InChIKeyDRLPZTFQGKUKEC-OFVXYYGZSA-N
XLogP2.27
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 52.27
H-Bond Donors ≤ 51
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'}

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Frequently Asked Questions

What is the IUPAC name of N'-methanimidoyl-N-pentylideneethanimidamide?
The IUPAC name of N'-methanimidoyl-N-pentylideneethanimidamide (CID 122435329) is N'-methanimidoyl-N-pentylideneethanimidamide.
What is the SMILES notation for N'-methanimidoyl-N-pentylideneethanimidamide?
The canonical SMILES for N'-methanimidoyl-N-pentylideneethanimidamide is [H]/N=C/N=C(C)/N=C/CCCC.
What is the InChIKey of N'-methanimidoyl-N-pentylideneethanimidamide?
The InChIKey is DRLPZTFQGKUKEC-OFVXYYGZSA-N. The full InChI is InChI=1S/C8H15N3/c1-3-4-5-6-10-8(2)11-7-9/h6-7,9H,3-5H2,1-2H3/b9-7+,10-6+,11-8+.
What are the key properties of N'-methanimidoyl-N-pentylideneethanimidamide?
N'-methanimidoyl-N-pentylideneethanimidamide has a molecular weight of 153.23 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methanimidoyl-N-pentylideneethanimidamide is sourced from PubChem (CID 122435329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).