N'-[ethenyl(pentyl)amino]methanimidamide

C8H17N3 — CID 166768654

IUPACN'-[ethenyl(pentyl)amino]methanimidamide
SMILESC=CN(CCCCC)/N=C\N
InChIInChI=1S/C8H17N3/c1-3-5-6-7-11(4-2)10-8-9/h4,8H,2-3,5-7H2,1H3,(H2,9,10)
InChIKeyOUCSJVQHXXXYSB-UHFFFAOYSA-N
MW155.25 g/mol
LogP1.52
Rot. Bonds6

About N'-[ethenyl(pentyl)amino]methanimidamide

N'-[ethenyl(pentyl)amino]methanimidamide (PubChem CID 166768654) has the molecular formula C8H17N3 and a molecular weight of 155.25 g/mol. Its IUPAC name is N'-[ethenyl(pentyl)amino]methanimidamide.

Molecular Properties

Compound NameN'-[ethenyl(pentyl)amino]methanimidamide
PubChem CID166768654
Molecular FormulaC8H17N3
Molecular Weight155.25 g/mol
Exact Mass155.14
IUPAC NameN'-[ethenyl(pentyl)amino]methanimidamide
SMILESC=CN(CCCCC)/N=C\N
InChIInChI=1S/C8H17N3/c1-3-5-6-7-11(4-2)10-8-9/h4,8H,2-3,5-7H2,1H3,(H2,9,10)
InChIKeyOUCSJVQHXXXYSB-UHFFFAOYSA-N
XLogP1.52
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.25
LogP ≤ 51.52
H-Bond Donors ≤ 51
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-butyl-N-ethenylpentan-1-amine
CID 154960223
N'-ethenyl-N'-[(Z)-propylideneamino]ethane-1,2-diamine
CID 143110172
N-ethenyl-N-heptyl-N'-methylmethanimidamide
CID 144548032
N-ethenyl-N-propan-2-ylpentan-1-amine
CID 174943093
N-methyl-N-prop-2-enylhexadecan-1-amine
CID 100953658
N-methyl-N-prop-2-enyloctadecan-1-amine;hydrochloride
CID 173181442
N,N-bis(prop-2-enyl)undecan-1-amine
CID 10156078
N-methyl-N-[(Z)-2-(methylideneamino)ethenyl]hexan-1-amine
CID 170063371
hexane;propane;prop-1-ene
CID 143913803
ethenol;hexane
CID 22706833
1-octyl-2-prop-2-enylhydrazine
CID 175337885
N,N-bis(prop-2-enyl)octadecan-1-amine;hydrochloride
CID 88725807

Frequently Asked Questions

What is the IUPAC name of N'-[ethenyl(pentyl)amino]methanimidamide?
The IUPAC name of N'-[ethenyl(pentyl)amino]methanimidamide (CID 166768654) is N'-[ethenyl(pentyl)amino]methanimidamide.
What is the SMILES notation for N'-[ethenyl(pentyl)amino]methanimidamide?
The canonical SMILES for N'-[ethenyl(pentyl)amino]methanimidamide is C=CN(CCCCC)/N=C\N.
What is the InChIKey of N'-[ethenyl(pentyl)amino]methanimidamide?
The InChIKey is OUCSJVQHXXXYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3/c1-3-5-6-7-11(4-2)10-8-9/h4,8H,2-3,5-7H2,1H3,(H2,9,10).
What are the key properties of N'-[ethenyl(pentyl)amino]methanimidamide?
N'-[ethenyl(pentyl)amino]methanimidamide has a molecular weight of 155.25 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[ethenyl(pentyl)amino]methanimidamide is sourced from PubChem (CID 166768654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).