N'-hexylpropanimidamide

C9H20N2 — CID 62048653

IUPACN'-hexylpropanimidamide
SMILESCCCCCC/N=C(/N)CC
InChIInChI=1S/C9H20N2/c1-3-5-6-7-8-11-9(10)4-2/h3-8H2,1-2H3,(H2,10,11)
InChIKeyARRSPNDIDDQONI-UHFFFAOYSA-N
MW156.27 g/mol
LogP2.33
Rot. Bonds6

About N'-hexylpropanimidamide

N'-hexylpropanimidamide (PubChem CID 62048653) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is N'-hexylpropanimidamide.

Molecular Properties

Compound NameN'-hexylpropanimidamide
PubChem CID62048653
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC NameN'-hexylpropanimidamide
SMILESCCCCCC/N=C(/N)CC
InChIInChI=1S/C9H20N2/c1-3-5-6-7-8-11-9(10)4-2/h3-8H2,1-2H3,(H2,10,11)
InChIKeyARRSPNDIDDQONI-UHFFFAOYSA-N
XLogP2.33
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.33
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'-pentylpropanimidamide
CID 62047571
N'-dodecyl-2-hydroxyethanimidamide
CID 90353251
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
ethyl N'-hexylcarbamimidothioate
CID 154136436
methyl N'-hexylcarbamimidothioate
CID 157360407
1-(diaminomethylidene)-2-heptylguanidine;hydrochloride
CID 71332603
1-ethyl-2-nonylguanidine
CID 111034740
oxalic acid;2-tetradecylguanidine
CID 88685065
N'-[4-[methyl(propan-2-yl)amino]butyl]propanimidamide
CID 63176646
N'-butylpropanimidamide;ethane;formonitrile;methyl hexanoate
CID 142172596
2-[2-(1-aminopropylideneamino)ethoxy]acetamide
CID 106241380

Frequently Asked Questions

What is the IUPAC name of N'-hexylpropanimidamide?
The IUPAC name of N'-hexylpropanimidamide (CID 62048653) is N'-hexylpropanimidamide.
What is the SMILES notation for N'-hexylpropanimidamide?
The canonical SMILES for N'-hexylpropanimidamide is CCCCCC/N=C(/N)CC.
What is the InChIKey of N'-hexylpropanimidamide?
The InChIKey is ARRSPNDIDDQONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-3-5-6-7-8-11-9(10)4-2/h3-8H2,1-2H3,(H2,10,11).
What are the key properties of N'-hexylpropanimidamide?
N'-hexylpropanimidamide has a molecular weight of 156.27 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hexylpropanimidamide is sourced from PubChem (CID 62048653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).