1-ethoxy-N'-(2-methylpropyl)cycloheptane-1-carboximidamide

C14H28N2O — CID 116780064

IUPAC1-ethoxy-N'-(2-methylpropyl)cycloheptane-1-carboximidamide
SMILESCCOC1(/C(N)=N/CC(C)C)CCCCCC1
InChIInChI=1S/C14H28N2O/c1-4-17-14(9-7-5-6-8-10-14)13(15)16-11-12(2)3/h12H,4-11H2,1-3H3,(H2,15,16)
InChIKeyNLGFNNLHGNISNV-UHFFFAOYSA-N
MW240.39 g/mol
LogP3.13
Rot. Bonds5

About 1-ethoxy-N'-(2-methylpropyl)cycloheptane-1-carboximidamide

1-ethoxy-N'-(2-methylpropyl)cycloheptane-1-carboximidamide (PubChem CID 116780064) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-ethoxy-N'-(2-methylpropyl)cycloheptane-1-carboximidamide.

Molecular Properties

Compound Name1-ethoxy-N'-(2-methylpropyl)cycloheptane-1-carboximidamide
PubChem CID116780064
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-ethoxy-N'-(2-methylpropyl)cycloheptane-1-carboximidamide
SMILESCCOC1(/C(N)=N/CC(C)C)CCCCCC1
InChIInChI=1S/C14H28N2O/c1-4-17-14(9-7-5-6-8-10-14)13(15)16-11-12(2)3/h12H,4-11H2,1-3H3,(H2,15,16)
InChIKeyNLGFNNLHGNISNV-UHFFFAOYSA-N
XLogP3.13
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-ethoxy-N'-(2-methylpropyl)cycloheptane-1-carboximidamide 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

1-ethoxy-4,4-dimethyl-N'-(2-methylpropyl)cyclohexane-1-carboximidamide
CID 116780063
1-(1-ethoxycyclobutyl)-2-methylpropan-1-one
CID 176614668
tert-butyl 3-(1-ethoxycyclohexyl)-2-methyl-3-oxopropanoate
CID 116774910
1-(1-ethoxycyclopentyl)-5-methylhexan-1-one
CID 116747883
1-ethoxy-N',4-dimethylcyclohexane-1-carboximidamide
CID 116779952
1-(1-ethoxycycloheptyl)prop-2-yn-1-one
CID 116750710
1-(1-ethoxycyclohexyl)but-3-yn-1-one
CID 116748359
ethyl 4-[[N'-(2-methylpropyl)carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 110912111
1-(1-ethoxycycloheptyl)-2-methylpropan-1-amine
CID 116770663
1-amino-3-(1-methylcyclobutyl)-2-(2-methylpropyl)guanidine
CID 104888487
4-methoxy-N'-propyloxane-4-carboximidamide
CID 116779981
2-cyclobutyl-1-(1-ethoxycycloheptyl)ethanone
CID 116750829

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-N'-(2-methylpropyl)cycloheptane-1-carboximidamide?
The IUPAC name of 1-ethoxy-N'-(2-methylpropyl)cycloheptane-1-carboximidamide (CID 116780064) is 1-ethoxy-N'-(2-methylpropyl)cycloheptane-1-carboximidamide.
What is the SMILES notation for 1-ethoxy-N'-(2-methylpropyl)cycloheptane-1-carboximidamide?
The canonical SMILES for 1-ethoxy-N'-(2-methylpropyl)cycloheptane-1-carboximidamide is CCOC1(/C(N)=N/CC(C)C)CCCCCC1.
What is the InChIKey of 1-ethoxy-N'-(2-methylpropyl)cycloheptane-1-carboximidamide?
The InChIKey is NLGFNNLHGNISNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-4-17-14(9-7-5-6-8-10-14)13(15)16-11-12(2)3/h12H,4-11H2,1-3H3,(H2,15,16).
What are the key properties of 1-ethoxy-N'-(2-methylpropyl)cycloheptane-1-carboximidamide?
1-ethoxy-N'-(2-methylpropyl)cycloheptane-1-carboximidamide has a molecular weight of 240.39 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-N'-(2-methylpropyl)cycloheptane-1-carboximidamide is sourced from PubChem (CID 116780064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).