1-[2-(cyclohexen-1-yl)ethyl]-2-(3,7-dimethyloctyl)guanidine

C19H37N3 — CID 11727625

IUPAC1-[2-(cyclohexen-1-yl)ethyl]-2-(3,7-dimethyloctyl)guanidine
SMILESCC(C)CCCC(C)CC/N=C(\N)NCCC1=CCCCC1
InChIInChI=1S/C19H37N3/c1-16(2)8-7-9-17(3)12-14-21-19(20)22-15-13-18-10-5-4-6-11-18/h10,16-17H,4-9,11-15H2,1-3H3,(H3,20,21,22)
InChIKeySBJWHIUMPGZRIL-UHFFFAOYSA-N
MW307.53 g/mol
LogP4.63
Rot. Bonds10

About 1-[2-(cyclohexen-1-yl)ethyl]-2-(3,7-dimethyloctyl)guanidine

1-[2-(cyclohexen-1-yl)ethyl]-2-(3,7-dimethyloctyl)guanidine (PubChem CID 11727625) has the molecular formula C19H37N3 and a molecular weight of 307.53 g/mol. Its IUPAC name is 1-[2-(cyclohexen-1-yl)ethyl]-2-(3,7-dimethyloctyl)guanidine.

Molecular Properties

Compound Name1-[2-(cyclohexen-1-yl)ethyl]-2-(3,7-dimethyloctyl)guanidine
PubChem CID11727625
Molecular FormulaC19H37N3
Molecular Weight307.53 g/mol
Exact Mass307.30
IUPAC Name1-[2-(cyclohexen-1-yl)ethyl]-2-(3,7-dimethyloctyl)guanidine
SMILESCC(C)CCCC(C)CC/N=C(\N)NCCC1=CCCCC1
InChIInChI=1S/C19H37N3/c1-16(2)8-7-9-17(3)12-14-21-19(20)22-15-13-18-10-5-4-6-11-18/h10,16-17H,4-9,11-15H2,1-3H3,(H3,20,21,22)
InChIKeySBJWHIUMPGZRIL-UHFFFAOYSA-N
XLogP4.63
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.53
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-decyl-1-[(Z)-octadec-9-enyl]guanidine
CID 172460300
1-[2-(Cyclohexen-1-yl)ethyl]-3-ethyl-2-methylguanidine
CID 95908016
3-[2-(Cyclohexen-1-yl)ethyl]-1,1,2-trimethylguanidine
CID 100611868
3-(4-Methylpent-3-en-1-yl)-1-[9-([7-[(4-methylpent-3-en-1-yl)-carbamimidamido]heptyl]amino)nonyl]guanidine
CID 129661500
1-[9-(7-Guanidinoheptylamino)nonyl]-3-(4-methylpent-3-enyl)guanidine
CID 49771416
2-methyl-1-[(9Z,12Z)-octadeca-9,12-dienyl]guanidine
CID 59706265
5-[(3-methylcyclohex-2-en-1-yl)methyl]-4,5-dihydro-1H-imidazole
CID 68014673
2-Methyl-1-[3-(2-propylhex-5-enyl)cyclohexyl]guanidine
CID 123553584
5-methyl-7-(9-methyl-4-methylidenedodec-10-enyl)-4,5,6,7-tetrahydro-1H-1,3-diazepine
CID 123598624
N-(1-amino-2,6-dimethyl-5-methylideneoctyl)-N'-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]methanimidamide
CID 124112862
N'-[(Z)-2-[(E)-but-2-en-2-yl]-5,7-dimethyl-4-methylidenenon-7-enyl]-N-methylmethanediamine
CID 126514847
1-(4,6-Dimethyl-5-methylideneheptyl)-2-methylguanidine
CID 134277371

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclohexen-1-yl)ethyl]-2-(3,7-dimethyloctyl)guanidine?
The IUPAC name of 1-[2-(cyclohexen-1-yl)ethyl]-2-(3,7-dimethyloctyl)guanidine (CID 11727625) is 1-[2-(cyclohexen-1-yl)ethyl]-2-(3,7-dimethyloctyl)guanidine.
What is the SMILES notation for 1-[2-(cyclohexen-1-yl)ethyl]-2-(3,7-dimethyloctyl)guanidine?
The canonical SMILES for 1-[2-(cyclohexen-1-yl)ethyl]-2-(3,7-dimethyloctyl)guanidine is CC(C)CCCC(C)CC/N=C(\N)NCCC1=CCCCC1.
What is the InChIKey of 1-[2-(cyclohexen-1-yl)ethyl]-2-(3,7-dimethyloctyl)guanidine?
The InChIKey is SBJWHIUMPGZRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N3/c1-16(2)8-7-9-17(3)12-14-21-19(20)22-15-13-18-10-5-4-6-11-18/h10,16-17H,4-9,11-15H2,1-3H3,(H3,20,21,22).
What are the key properties of 1-[2-(cyclohexen-1-yl)ethyl]-2-(3,7-dimethyloctyl)guanidine?
1-[2-(cyclohexen-1-yl)ethyl]-2-(3,7-dimethyloctyl)guanidine has a molecular weight of 307.53 g/mol, XLogP of 4.63, 10 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclohexen-1-yl)ethyl]-2-(3,7-dimethyloctyl)guanidine is sourced from PubChem (CID 11727625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).