2-[2-(cyclohexen-1-yl)ethyl]-1-heptan-2-ylguanidine

C16H31N3 — CID 10264853

IUPAC2-[2-(cyclohexen-1-yl)ethyl]-1-heptan-2-ylguanidine
SMILESCCCCCC(C)N/C(N)=N/CCC1=CCCCC1
InChIInChI=1S/C16H31N3/c1-3-4-6-9-14(2)19-16(17)18-13-12-15-10-7-5-8-11-15/h10,14H,3-9,11-13H2,1-2H3,(H3,17,18,19)
InChIKeyFIYHWLPDQKXXKV-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.75
Rot. Bonds8

About 2-[2-(cyclohexen-1-yl)ethyl]-1-heptan-2-ylguanidine

2-[2-(cyclohexen-1-yl)ethyl]-1-heptan-2-ylguanidine (PubChem CID 10264853) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 2-[2-(cyclohexen-1-yl)ethyl]-1-heptan-2-ylguanidine.

Molecular Properties

Compound Name2-[2-(cyclohexen-1-yl)ethyl]-1-heptan-2-ylguanidine
PubChem CID10264853
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name2-[2-(cyclohexen-1-yl)ethyl]-1-heptan-2-ylguanidine
SMILESCCCCCC(C)N/C(N)=N/CCC1=CCCCC1
InChIInChI=1S/C16H31N3/c1-3-4-6-9-14(2)19-16(17)18-13-12-15-10-7-5-8-11-15/h10,14H,3-9,11-13H2,1-2H3,(H3,17,18,19)
InChIKeyFIYHWLPDQKXXKV-UHFFFAOYSA-N
XLogP3.75
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[2-(cyclohexen-1-yl)ethyl]-1-heptan-2-ylguanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(Z)-octadec-9-enyl]-1-[8-[[N'-[(Z)-octadec-9-enyl]carbamimidoyl]amino]octyl]guanidine
CID 172444260
1-[4-(diaminomethylideneamino)butyl]-2-[(Z)-octadec-9-enyl]guanidine
CID 172446834
1-(4-aminobutyl)-2-[(Z)-octadec-9-enyl]guanidine
CID 172448694
2-(8-aminooctyl)-1-[(Z)-octadec-9-enyl]guanidine
CID 172459535
2-decyl-1-[(Z)-octadec-9-enyl]guanidine
CID 172460300
1-(4-aminobutyl)-2-[(9Z,12Z)-octadeca-9,12-dienyl]guanidine
CID 172462374
1-(4-aminobutyl)-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienyl]guanidine
CID 172465396
2-(8-aminooctyl)-1-[(9Z,12Z)-octadeca-9,12-dienyl]guanidine
CID 172469274
1-[8-(diaminomethylideneamino)octyl]-2-[(9Z,12Z)-octadeca-9,12-dienyl]guanidine
CID 172471824
1-[2-(Cyclohexen-1-yl)ethyl]-3-ethyl-2-methylguanidine
CID 95908016
3-[2-(Cyclohexen-1-yl)ethyl]-1,1,2-trimethylguanidine
CID 100611868
1-(6-Aminohexyl)-3-(4-methylpent-3-en-1-yl)guanidine
CID 129661450

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclohexen-1-yl)ethyl]-1-heptan-2-ylguanidine?
The IUPAC name of 2-[2-(cyclohexen-1-yl)ethyl]-1-heptan-2-ylguanidine (CID 10264853) is 2-[2-(cyclohexen-1-yl)ethyl]-1-heptan-2-ylguanidine.
What is the SMILES notation for 2-[2-(cyclohexen-1-yl)ethyl]-1-heptan-2-ylguanidine?
The canonical SMILES for 2-[2-(cyclohexen-1-yl)ethyl]-1-heptan-2-ylguanidine is CCCCCC(C)N/C(N)=N/CCC1=CCCCC1.
What is the InChIKey of 2-[2-(cyclohexen-1-yl)ethyl]-1-heptan-2-ylguanidine?
The InChIKey is FIYHWLPDQKXXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-3-4-6-9-14(2)19-16(17)18-13-12-15-10-7-5-8-11-15/h10,14H,3-9,11-13H2,1-2H3,(H3,17,18,19).
What are the key properties of 2-[2-(cyclohexen-1-yl)ethyl]-1-heptan-2-ylguanidine?
2-[2-(cyclohexen-1-yl)ethyl]-1-heptan-2-ylguanidine has a molecular weight of 265.44 g/mol, XLogP of 3.75, 8 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclohexen-1-yl)ethyl]-1-heptan-2-ylguanidine is sourced from PubChem (CID 10264853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).