1-cyclohexyl-2-[7-(dimethylamino)heptyl]guanidine

C16H34N4 — CID 111084877

IUPAC1-cyclohexyl-2-[7-(dimethylamino)heptyl]guanidine
SMILESCN(C)CCCCCCC/N=C(\N)NC1CCCCC1
InChIInChI=1S/C16H34N4/c1-20(2)14-10-5-3-4-9-13-18-16(17)19-15-11-7-6-8-12-15/h15H,3-14H2,1-2H3,(H3,17,18,19)
InChIKeySJWKXUIACGUPTB-UHFFFAOYSA-N
MW282.48 g/mol
LogP2.74
Rot. Bonds9

About 1-cyclohexyl-2-[7-(dimethylamino)heptyl]guanidine

1-cyclohexyl-2-[7-(dimethylamino)heptyl]guanidine (PubChem CID 111084877) has the molecular formula C16H34N4 and a molecular weight of 282.48 g/mol. Its IUPAC name is 1-cyclohexyl-2-[7-(dimethylamino)heptyl]guanidine.

Molecular Properties

Compound Name1-cyclohexyl-2-[7-(dimethylamino)heptyl]guanidine
PubChem CID111084877
Molecular FormulaC16H34N4
Molecular Weight282.48 g/mol
Exact Mass282.28
IUPAC Name1-cyclohexyl-2-[7-(dimethylamino)heptyl]guanidine
SMILESCN(C)CCCCCCC/N=C(\N)NC1CCCCC1
InChIInChI=1S/C16H34N4/c1-20(2)14-10-5-3-4-9-13-18-16(17)19-15-11-7-6-8-12-15/h15H,3-14H2,1-2H3,(H3,17,18,19)
InChIKeySJWKXUIACGUPTB-UHFFFAOYSA-N
XLogP2.74
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.48
LogP ≤ 52.74
H-Bond Donors ≤ 52
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

1-cyclohexyl-2-octylguanidine
CID 113337391
2-[6-[[amino-(cyclopropylamino)methylidene]amino]hexyl]-1-cyclopropylguanidine
CID 110062172
1-cyclohexyl-2-(5-methylhexyl)guanidine
CID 79479082
1-cyclohexyl-2-[2-[ethyl(methyl)amino]ethyl]guanidine;hydroiodide
CID 110921200
1-cyclopentyl-2-(3-ethoxypropyl)guanidine
CID 62364488
1-cyclohexyl-2-ethylguanidine
CID 18727697
1-cyclohexyl-2-(3,3-dimethylbutyl)guanidine
CID 115612324
2-(3-cyclohexyloxypropyl)-1-cyclopropylguanidine
CID 110914060
2-(3-butoxypropyl)-1-cyclopentylguanidine
CID 113229344
1-cyclohexyl-2-[4-(2-methylpiperidin-1-yl)butyl]guanidine
CID 111060057
1-cyclohexyl-2-(3-hydroxybutyl)guanidine
CID 64911703
1-cyclohexyl-2-(2-ethoxyethyl)guanidine
CID 62363423

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[7-(dimethylamino)heptyl]guanidine?
The IUPAC name of 1-cyclohexyl-2-[7-(dimethylamino)heptyl]guanidine (CID 111084877) is 1-cyclohexyl-2-[7-(dimethylamino)heptyl]guanidine.
What is the SMILES notation for 1-cyclohexyl-2-[7-(dimethylamino)heptyl]guanidine?
The canonical SMILES for 1-cyclohexyl-2-[7-(dimethylamino)heptyl]guanidine is CN(C)CCCCCCC/N=C(\N)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-[7-(dimethylamino)heptyl]guanidine?
The InChIKey is SJWKXUIACGUPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N4/c1-20(2)14-10-5-3-4-9-13-18-16(17)19-15-11-7-6-8-12-15/h15H,3-14H2,1-2H3,(H3,17,18,19).
What are the key properties of 1-cyclohexyl-2-[7-(dimethylamino)heptyl]guanidine?
1-cyclohexyl-2-[7-(dimethylamino)heptyl]guanidine has a molecular weight of 282.48 g/mol, XLogP of 2.74, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[7-(dimethylamino)heptyl]guanidine is sourced from PubChem (CID 111084877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).