methyl N-[2-(cycloheptylamino)ethyl]carbamate

C11H22N2O2 — CID 115306508

IUPACmethyl N-[2-(cycloheptylamino)ethyl]carbamate
SMILESCOC(=O)NCCNC1CCCCCC1
InChIInChI=1S/C11H22N2O2/c1-15-11(14)13-9-8-12-10-6-4-2-3-5-7-10/h10,12H,2-9H2,1H3,(H,13,14)
InChIKeyQXCOEAFNMJMTSW-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.65
Rot. Bonds4

About methyl N-[2-(cycloheptylamino)ethyl]carbamate

methyl N-[2-(cycloheptylamino)ethyl]carbamate (PubChem CID 115306508) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is methyl N-[2-(cycloheptylamino)ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-(cycloheptylamino)ethyl]carbamate
PubChem CID115306508
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Namemethyl N-[2-(cycloheptylamino)ethyl]carbamate
SMILESCOC(=O)NCCNC1CCCCCC1
InChIInChI=1S/C11H22N2O2/c1-15-11(14)13-9-8-12-10-6-4-2-3-5-7-10/h10,12H,2-9H2,1H3,(H,13,14)
InChIKeyQXCOEAFNMJMTSW-UHFFFAOYSA-N
XLogP1.65
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[2-(cyclopropylamino)ethyl]carbamate
CID 62663328
tert-butyl N-[2-(cyclododecylamino)ethyl]carbamate
CID 107241352
N-[2-(cyclononylamino)ethyl]acetamide
CID 154969023
N-[2-(cyclododecylamino)ethyl]-2-methylpropanamide
CID 28552099
N-[2-(cyclohexylamino)ethyl]-2-methylpropanamide
CID 28651344
tert-butyl N-[6-(cyclohexylamino)hexyl]carbamate
CID 10590220
N-[2-(cycloheptylamino)ethyl]-2-(2-methoxyethoxy)acetamide;hydrochloride
CID 119620939
N-[2-(cycloheptylamino)ethyl]-2-cyclopropylpropanamide
CID 81482446
N-[2-(cycloheptylamino)ethyl]-2-(dimethylamino)acetamide
CID 113283329
N-[2-(cycloheptylamino)ethyl]azepane-1-carboxamide
CID 115306511
methyl N-[2-[[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]amino]ethyl]carbamate
CID 144745494
tert-butyl N-[2-[(4-methylcyclohexyl)amino]ethyl]carbamate
CID 103653351

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(cycloheptylamino)ethyl]carbamate?
The IUPAC name of methyl N-[2-(cycloheptylamino)ethyl]carbamate (CID 115306508) is methyl N-[2-(cycloheptylamino)ethyl]carbamate.
What is the SMILES notation for methyl N-[2-(cycloheptylamino)ethyl]carbamate?
The canonical SMILES for methyl N-[2-(cycloheptylamino)ethyl]carbamate is COC(=O)NCCNC1CCCCCC1.
What is the InChIKey of methyl N-[2-(cycloheptylamino)ethyl]carbamate?
The InChIKey is QXCOEAFNMJMTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-15-11(14)13-9-8-12-10-6-4-2-3-5-7-10/h10,12H,2-9H2,1H3,(H,13,14).
What are the key properties of methyl N-[2-(cycloheptylamino)ethyl]carbamate?
methyl N-[2-(cycloheptylamino)ethyl]carbamate has a molecular weight of 214.31 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(cycloheptylamino)ethyl]carbamate is sourced from PubChem (CID 115306508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).