1-[2-(cyclohexen-1-yl)ethyl]-2-(3,7-dimethyloct-6-enyl)guanidine

C19H35N3 — CID 10947846

IUPAC1-[2-(cyclohexen-1-yl)ethyl]-2-(3,7-dimethyloct-6-enyl)guanidine
SMILESCC(C)=CCCC(C)CC/N=C(\N)NCCC1=CCCCC1
InChIInChI=1S/C19H35N3/c1-16(2)8-7-9-17(3)12-14-21-19(20)22-15-13-18-10-5-4-6-11-18/h8,10,17H,4-7,9,11-15H2,1-3H3,(H3,20,21,22)
InChIKeyUWXAYPGSDGYFNF-UHFFFAOYSA-N
MW305.51 g/mol
LogP4.55
Rot. Bonds9

About 1-[2-(cyclohexen-1-yl)ethyl]-2-(3,7-dimethyloct-6-enyl)guanidine

1-[2-(cyclohexen-1-yl)ethyl]-2-(3,7-dimethyloct-6-enyl)guanidine (PubChem CID 10947846) has the molecular formula C19H35N3 and a molecular weight of 305.51 g/mol. Its IUPAC name is 1-[2-(cyclohexen-1-yl)ethyl]-2-(3,7-dimethyloct-6-enyl)guanidine.

Molecular Properties

Compound Name1-[2-(cyclohexen-1-yl)ethyl]-2-(3,7-dimethyloct-6-enyl)guanidine
PubChem CID10947846
Molecular FormulaC19H35N3
Molecular Weight305.51 g/mol
Exact Mass305.28
IUPAC Name1-[2-(cyclohexen-1-yl)ethyl]-2-(3,7-dimethyloct-6-enyl)guanidine
SMILESCC(C)=CCCC(C)CC/N=C(\N)NCCC1=CCCCC1
InChIInChI=1S/C19H35N3/c1-16(2)8-7-9-17(3)12-14-21-19(20)22-15-13-18-10-5-4-6-11-18/h8,10,17H,4-7,9,11-15H2,1-3H3,(H3,20,21,22)
InChIKeyUWXAYPGSDGYFNF-UHFFFAOYSA-N
XLogP4.55
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.51
LogP ≤ 54.55
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

1-[2-(cyclohexen-1-yl)ethyl]-2-methylguanidine
CID 62359713
ethane;1-(4-methylpent-3-enyl)cyclohexene
CID 142984227
3-methylbut-2-enyl N-[2-(cyclohexen-1-yl)ethyl]carbamate
CID 11470417
1-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-(3-methylbutyl)guanidine
CID 109377909
(2S)-2-amino-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 22690442
2-[2-(cyclohexen-1-yl)ethyl]-1-cyclopropylguanidine
CID 51130757
1-[2-(cyclohexen-1-yl)ethyl]-3-(3-methylbutyl)urea
CID 110299684
2-chloro-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 3498774
2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide
CID 109130626
1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144460
1-[2-(cyclohexen-1-yl)ethyl]-2-methyl-3-(2-methylpropyl)guanidine
CID 111178396
2-[2-(cyclohexen-1-yl)ethyl]-1-(3,4-dimethylphenyl)guanidine;hydroiodide
CID 111025065

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclohexen-1-yl)ethyl]-2-(3,7-dimethyloct-6-enyl)guanidine?
The IUPAC name of 1-[2-(cyclohexen-1-yl)ethyl]-2-(3,7-dimethyloct-6-enyl)guanidine (CID 10947846) is 1-[2-(cyclohexen-1-yl)ethyl]-2-(3,7-dimethyloct-6-enyl)guanidine.
What is the SMILES notation for 1-[2-(cyclohexen-1-yl)ethyl]-2-(3,7-dimethyloct-6-enyl)guanidine?
The canonical SMILES for 1-[2-(cyclohexen-1-yl)ethyl]-2-(3,7-dimethyloct-6-enyl)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-dimethyloct-6-enyl)guanidine?
The InChIKey is UWXAYPGSDGYFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3/c1-16(2)8-7-9-17(3)12-14-21-19(20)22-15-13-18-10-5-4-6-11-18/h8,10,17H,4-7,9,11-15H2,1-3H3,(H3,20,21,22).
What are the key properties of 1-[2-(cyclohexen-1-yl)ethyl]-2-(3,7-dimethyloct-6-enyl)guanidine?
1-[2-(cyclohexen-1-yl)ethyl]-2-(3,7-dimethyloct-6-enyl)guanidine has a molecular weight of 305.51 g/mol, XLogP of 4.55, 9 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-dimethyloct-6-enyl)guanidine is sourced from PubChem (CID 10947846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).