N'-pentylpropanimidamide

C8H18N2 — CID 62047571

IUPACN'-pentylpropanimidamide
SMILESCCCCC/N=C(/N)CC
InChIInChI=1S/C8H18N2/c1-3-5-6-7-10-8(9)4-2/h3-7H2,1-2H3,(H2,9,10)
InChIKeySWBLJSDYSVEURH-UHFFFAOYSA-N
MW142.25 g/mol
LogP1.94
Rot. Bonds5

About N'-pentylpropanimidamide

N'-pentylpropanimidamide (PubChem CID 62047571) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is N'-pentylpropanimidamide.

Molecular Properties

Compound NameN'-pentylpropanimidamide
PubChem CID62047571
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC NameN'-pentylpropanimidamide
SMILESCCCCC/N=C(/N)CC
InChIInChI=1S/C8H18N2/c1-3-5-6-7-10-8(9)4-2/h3-7H2,1-2H3,(H2,9,10)
InChIKeySWBLJSDYSVEURH-UHFFFAOYSA-N
XLogP1.94
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 51.94
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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Related Compounds

N'-hexylpropanimidamide
CID 62048653
N'-dodecyl-2-hydroxyethanimidamide
CID 90353251
N'-[4-[methyl(propan-2-yl)amino]butyl]propanimidamide
CID 63176646
N'-butylpropanimidamide;ethane;formonitrile;methyl hexanoate
CID 142172596
1-[N'-[8-[[amino-[(N'-hexylcarbamimidoyl)amino]methylidene]amino]octyl]carbamimidoyl]-2-hexylguanidine
CID 90672033
1-[N'-[4-[[amino-[(N'-nonylcarbamimidoyl)amino]methylidene]amino]butyl]carbamimidoyl]-2-nonylguanidine
CID 90672025
2-[2-(1-aminopropylideneamino)ethoxy]acetamide
CID 106241380
methyl N'-hexylcarbamimidothioate
CID 157360407
ethyl N'-hexylcarbamimidothioate
CID 154136436
oxalic acid;2-tetradecylguanidine
CID 88685065
1-ethyl-2-nonylguanidine
CID 111034740
1-(diaminomethylidene)-2-heptylguanidine;hydrochloride
CID 71332603

Frequently Asked Questions

What is the IUPAC name of N'-pentylpropanimidamide?
The IUPAC name of N'-pentylpropanimidamide (CID 62047571) is N'-pentylpropanimidamide.
What is the SMILES notation for N'-pentylpropanimidamide?
The canonical SMILES for N'-pentylpropanimidamide is CCCCC/N=C(/N)CC.
What is the InChIKey of N'-pentylpropanimidamide?
The InChIKey is SWBLJSDYSVEURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c1-3-5-6-7-10-8(9)4-2/h3-7H2,1-2H3,(H2,9,10).
What are the key properties of N'-pentylpropanimidamide?
N'-pentylpropanimidamide has a molecular weight of 142.25 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-pentylpropanimidamide is sourced from PubChem (CID 62047571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).