1-cyclohexyl-1-[8-(8-cyclohexyloctylamino)octyl]guanidine

C29H58N4 — CID 131718107

IUPAC1-cyclohexyl-1-[8-(8-cyclohexyloctylamino)octyl]guanidine
SMILES[H]/N=C(\N)N(CCCCCCCCNCCCCCCCCC1CCCCC1)C1CCCCC1
InChIInChI=1S/C29H58N4/c30-29(31)33(28-22-14-10-15-23-28)26-18-8-4-3-7-17-25-32-24-16-6-2-1-5-11-19-27-20-12-9-13-21-27/h27-28,32H,1-26H2,(H3,30,31)
InChIKeyRYXRDQAXZKODQD-UHFFFAOYSA-N
MW462.81 g/mol
LogP7.76
Rot. Bonds19

About 1-cyclohexyl-1-[8-(8-cyclohexyloctylamino)octyl]guanidine

1-cyclohexyl-1-[8-(8-cyclohexyloctylamino)octyl]guanidine (PubChem CID 131718107) has the molecular formula C29H58N4 and a molecular weight of 462.81 g/mol. Its IUPAC name is 1-cyclohexyl-1-[8-(8-cyclohexyloctylamino)octyl]guanidine.

Molecular Properties

Compound Name1-cyclohexyl-1-[8-(8-cyclohexyloctylamino)octyl]guanidine
PubChem CID131718107
Molecular FormulaC29H58N4
Molecular Weight462.81 g/mol
Exact Mass462.47
IUPAC Name1-cyclohexyl-1-[8-(8-cyclohexyloctylamino)octyl]guanidine
SMILES[H]/N=C(\N)N(CCCCCCCCNCCCCCCCCC1CCCCC1)C1CCCCC1
InChIInChI=1S/C29H58N4/c30-29(31)33(28-22-14-10-15-23-28)26-18-8-4-3-7-17-25-32-24-16-6-2-1-5-11-19-27-20-12-9-13-21-27/h27-28,32H,1-26H2,(H3,30,31)
InChIKeyRYXRDQAXZKODQD-UHFFFAOYSA-N
XLogP7.76
TPSA65.14 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.81
LogP ≤ 57.76
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

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N'-[2-(3-cyclodecylpropylamino)ethyl]ethane-1,2-diamine
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1-amino-1-cyclohexylguanidine
CID 140973086
5-cyclobutylpentylcyclobutane
CID 173228999
4-cyclopentylbutylcyclohexane
CID 144547696
3-cyclopentylpropanimidamide
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1,1-dicyclopentylguanidine
CID 19841614
N'-(3-aminopropyl)-N-[3-(cycloheptylmethylamino)propyl]-N'-[3-(ethylamino)propyl]heptane-1,7-diamine
CID 58965158

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-[8-(8-cyclohexyloctylamino)octyl]guanidine?
The IUPAC name of 1-cyclohexyl-1-[8-(8-cyclohexyloctylamino)octyl]guanidine (CID 131718107) is 1-cyclohexyl-1-[8-(8-cyclohexyloctylamino)octyl]guanidine.
What is the SMILES notation for 1-cyclohexyl-1-[8-(8-cyclohexyloctylamino)octyl]guanidine?
The canonical SMILES for 1-cyclohexyl-1-[8-(8-cyclohexyloctylamino)octyl]guanidine is [H]/N=C(\N)N(CCCCCCCCNCCCCCCCCC1CCCCC1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-[8-(8-cyclohexyloctylamino)octyl]guanidine?
The InChIKey is RYXRDQAXZKODQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H58N4/c30-29(31)33(28-22-14-10-15-23-28)26-18-8-4-3-7-17-25-32-24-16-6-2-1-5-11-19-27-20-12-9-13-21-27/h27-28,32H,1-26H2,(H3,30,31).
What are the key properties of 1-cyclohexyl-1-[8-(8-cyclohexyloctylamino)octyl]guanidine?
1-cyclohexyl-1-[8-(8-cyclohexyloctylamino)octyl]guanidine has a molecular weight of 462.81 g/mol, XLogP of 7.76, 19 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-[8-(8-cyclohexyloctylamino)octyl]guanidine is sourced from PubChem (CID 131718107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).