2-methylpentyl 1-aminocycloheptane-1-carboxylate

C14H27NO2 — CID 103284238

IUPAC2-methylpentyl 1-aminocycloheptane-1-carboxylate
SMILESCCCC(C)COC(=O)C1(N)CCCCCC1
InChIInChI=1S/C14H27NO2/c1-3-8-12(2)11-17-13(16)14(15)9-6-4-5-7-10-14/h12H,3-11,15H2,1-2H3
InChIKeyLHFAHAGJLAERLW-UHFFFAOYSA-N
MW241.37 g/mol
LogP3.02
Rot. Bonds5

About 2-methylpentyl 1-aminocycloheptane-1-carboxylate

2-methylpentyl 1-aminocycloheptane-1-carboxylate (PubChem CID 103284238) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 2-methylpentyl 1-aminocycloheptane-1-carboxylate.

Molecular Properties

Compound Name2-methylpentyl 1-aminocycloheptane-1-carboxylate
PubChem CID103284238
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name2-methylpentyl 1-aminocycloheptane-1-carboxylate
SMILESCCCC(C)COC(=O)C1(N)CCCCCC1
InChIInChI=1S/C14H27NO2/c1-3-8-12(2)11-17-13(16)14(15)9-6-4-5-7-10-14/h12H,3-11,15H2,1-2H3
InChIKeyLHFAHAGJLAERLW-UHFFFAOYSA-N
XLogP3.02
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methylpentyl 1-aminocycloheptane-1-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methylpentyl 1-aminocycloheptane-1-carboxylate?
The IUPAC name of 2-methylpentyl 1-aminocycloheptane-1-carboxylate (CID 103284238) is 2-methylpentyl 1-aminocycloheptane-1-carboxylate.
What is the SMILES notation for 2-methylpentyl 1-aminocycloheptane-1-carboxylate?
The canonical SMILES for 2-methylpentyl 1-aminocycloheptane-1-carboxylate is CCCC(C)COC(=O)C1(N)CCCCCC1.
What is the InChIKey of 2-methylpentyl 1-aminocycloheptane-1-carboxylate?
The InChIKey is LHFAHAGJLAERLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-3-8-12(2)11-17-13(16)14(15)9-6-4-5-7-10-14/h12H,3-11,15H2,1-2H3.
What are the key properties of 2-methylpentyl 1-aminocycloheptane-1-carboxylate?
2-methylpentyl 1-aminocycloheptane-1-carboxylate has a molecular weight of 241.37 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpentyl 1-aminocycloheptane-1-carboxylate is sourced from PubChem (CID 103284238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).