2-[7-(ethylamino)heptyl]guanidine

C10H24N4 — CID 10104259

IUPAC2-[7-(ethylamino)heptyl]guanidine
SMILESCCNCCCCCCCN=C(N)N
InChIInChI=1S/C10H24N4/c1-2-13-8-6-4-3-5-7-9-14-10(11)12/h13H,2-9H2,1H3,(H4,11,12,14)
InChIKeyAJYARMNKTAKAGT-UHFFFAOYSA-N
MW200.33 g/mol
LogP0.82
Rot. Bonds9

About 2-[7-(ethylamino)heptyl]guanidine

2-[7-(ethylamino)heptyl]guanidine (PubChem CID 10104259) has the molecular formula C10H24N4 and a molecular weight of 200.33 g/mol. Its IUPAC name is 2-[7-(ethylamino)heptyl]guanidine.

Molecular Properties

Compound Name2-[7-(ethylamino)heptyl]guanidine
PubChem CID10104259
Molecular FormulaC10H24N4
Molecular Weight200.33 g/mol
Exact Mass200.20
IUPAC Name2-[7-(ethylamino)heptyl]guanidine
SMILESCCNCCCCCCCN=C(N)N
InChIInChI=1S/C10H24N4/c1-2-13-8-6-4-3-5-7-9-14-10(11)12/h13H,2-9H2,1H3,(H4,11,12,14)
InChIKeyAJYARMNKTAKAGT-UHFFFAOYSA-N
XLogP0.82
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.82
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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Related Compounds

2-[5-(3-methylbut-2-enylamino)pentyl]guanidine
CID 142908035
N,N'-diethylpentane-1,5-diamine
CID 15013244
2-[8-[8-(diaminomethylideneamino)octylamino]octyl]-1-(2-methylprop-1-enyl)guanidine
CID 46845149
[8-(diaminomethylideneamino)octylamino]methylphosphonic acid;hydrate
CID 88668506
N-ethyl-N'-[9-(ethylamino)nonyl]nonane-1,9-diamine
CID 58260221
(1E)-1-[amino-[6-(diaminomethylideneamino)hexylamino]methylidene]-2-[6-(diaminomethylideneamino)hexyl]guanidine
CID 176538744
2-[4-[(2-methyl-3-oxobutan-2-yl)amino]butyl]guanidine
CID 91298685
N-[5-(diaminomethylideneamino)pentyl]docosanamide
CID 135363931
N-ethyl-N'-[4-[4-(ethylamino)butylamino]butyl]pentane-1,5-diamine;N-ethyl-N'-[4-[3-(ethylamino)propylamino]butyl]butane-1,4-diamine;N-ethyl-N'-[3-[3-(ethylamino)propylamino]propyl]butane-1,4-diamine
CID 159678925
6-azido-N-ethylhexan-1-amine
CID 152547134
5-(diaminomethylideneamino)-N-ethylpentanamide
CID 123296097
oxalic acid;2-tetradecylguanidine
CID 88685065

Frequently Asked Questions

What is the IUPAC name of 2-[7-(ethylamino)heptyl]guanidine?
The IUPAC name of 2-[7-(ethylamino)heptyl]guanidine (CID 10104259) is 2-[7-(ethylamino)heptyl]guanidine.
What is the SMILES notation for 2-[7-(ethylamino)heptyl]guanidine?
The canonical SMILES for 2-[7-(ethylamino)heptyl]guanidine is CCNCCCCCCCN=C(N)N.
What is the InChIKey of 2-[7-(ethylamino)heptyl]guanidine?
The InChIKey is AJYARMNKTAKAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N4/c1-2-13-8-6-4-3-5-7-9-14-10(11)12/h13H,2-9H2,1H3,(H4,11,12,14).
What are the key properties of 2-[7-(ethylamino)heptyl]guanidine?
2-[7-(ethylamino)heptyl]guanidine has a molecular weight of 200.33 g/mol, XLogP of 0.82, 9 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(ethylamino)heptyl]guanidine is sourced from PubChem (CID 10104259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).