tert-butyl N-[2-(5-propan-2-ylazepan-4-yl)ethyl]carbamate

C16H32N2O2 — CID 84813188

IUPACtert-butyl N-[2-(5-propan-2-ylazepan-4-yl)ethyl]carbamate
SMILESCC(C)C1CCNCCC1CCNC(=O)OC(C)(C)C
InChIInChI=1S/C16H32N2O2/c1-12(2)14-8-10-17-9-6-13(14)7-11-18-15(19)20-16(3,4)5/h12-14,17H,6-11H2,1-5H3,(H,18,19)
InChIKeyMLDASOJLCQAMTA-UHFFFAOYSA-N
MW284.44 g/mol
LogP3.17
Rot. Bonds4

About tert-butyl N-[2-(5-propan-2-ylazepan-4-yl)ethyl]carbamate

tert-butyl N-[2-(5-propan-2-ylazepan-4-yl)ethyl]carbamate (PubChem CID 84813188) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is tert-butyl N-[2-(5-propan-2-ylazepan-4-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(5-propan-2-ylazepan-4-yl)ethyl]carbamate
PubChem CID84813188
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Nametert-butyl N-[2-(5-propan-2-ylazepan-4-yl)ethyl]carbamate
SMILESCC(C)C1CCNCCC1CCNC(=O)OC(C)(C)C
InChIInChI=1S/C16H32N2O2/c1-12(2)14-8-10-17-9-6-13(14)7-11-18-15(19)20-16(3,4)5/h12-14,17H,6-11H2,1-5H3,(H,18,19)
InChIKeyMLDASOJLCQAMTA-UHFFFAOYSA-N
XLogP3.17
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[2-(5-propan-2-ylazepan-4-yl)ethyl]carbamate 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

tert-butyl N-[2-(4-propan-2-ylpiperidin-3-yl)ethyl]carbamate
CID 84809189
tert-butyl N-[2-(2-propan-2-ylpiperidin-3-yl)ethyl]carbamate
CID 84809179
tert-butyl N-[[5-(2-methylpropyl)azepan-4-yl]methyl]carbamate
CID 84813195
butanedioic acid;tert-butyl N-(2-piperidin-4-ylethyl)carbamate
CID 19020689
tert-butyl N-[2-(2-cyclopropylpyrrolidin-3-yl)ethyl]carbamate
CID 84804757
tert-butyl N-[2-(2-piperidin-4-ylethylamino)ethyl]carbamate
CID 163448402
tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-piperidin-4-ylcarbamate
CID 90457113
tert-butyl N-[2-(3,3-dimethylpiperidin-4-yl)ethyl]carbamate
CID 84805349
tert-butyl N-[(2R,4S)-4-methyl-2-piperidin-4-ylhexyl]carbamate
CID 95241766
tert-butyl N-[2-[4-[(1S)-1-aminoethyl]cyclohexyl]ethyl]carbamate
CID 175690167
tert-butyl N-[4-(piperidin-4-ylmethylamino)butan-2-yl]carbamate
CID 107246993
tert-butyl N-(3-amino-2,2-dimethyl-3-piperidin-4-ylpropyl)carbamate
CID 115052275

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(5-propan-2-ylazepan-4-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(5-propan-2-ylazepan-4-yl)ethyl]carbamate (CID 84813188) is tert-butyl N-[2-(5-propan-2-ylazepan-4-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(5-propan-2-ylazepan-4-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(5-propan-2-ylazepan-4-yl)ethyl]carbamate is CC(C)C1CCNCCC1CCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(5-propan-2-ylazepan-4-yl)ethyl]carbamate?
The InChIKey is MLDASOJLCQAMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-12(2)14-8-10-17-9-6-13(14)7-11-18-15(19)20-16(3,4)5/h12-14,17H,6-11H2,1-5H3,(H,18,19).
What are the key properties of tert-butyl N-[2-(5-propan-2-ylazepan-4-yl)ethyl]carbamate?
tert-butyl N-[2-(5-propan-2-ylazepan-4-yl)ethyl]carbamate has a molecular weight of 284.44 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(5-propan-2-ylazepan-4-yl)ethyl]carbamate is sourced from PubChem (CID 84813188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).