tert-butyl N-[4-[(cyclopentylamino)methyl]oxan-3-yl]carbamate

C16H30N2O3 — CID 123168654

IUPACtert-butyl N-[4-[(cyclopentylamino)methyl]oxan-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1COCCC1CNC1CCCC1
InChIInChI=1S/C16H30N2O3/c1-16(2,3)21-15(19)18-14-11-20-9-8-12(14)10-17-13-6-4-5-7-13/h12-14,17H,4-11H2,1-3H3,(H,18,19)
InChIKeyBPNQJLSMESAMJC-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.45
Rot. Bonds4

About tert-butyl N-[4-[(cyclopentylamino)methyl]oxan-3-yl]carbamate

tert-butyl N-[4-[(cyclopentylamino)methyl]oxan-3-yl]carbamate (PubChem CID 123168654) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is tert-butyl N-[4-[(cyclopentylamino)methyl]oxan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[(cyclopentylamino)methyl]oxan-3-yl]carbamate
PubChem CID123168654
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Nametert-butyl N-[4-[(cyclopentylamino)methyl]oxan-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1COCCC1CNC1CCCC1
InChIInChI=1S/C16H30N2O3/c1-16(2,3)21-15(19)18-14-11-20-9-8-12(14)10-17-13-6-4-5-7-13/h12-14,17H,4-11H2,1-3H3,(H,18,19)
InChIKeyBPNQJLSMESAMJC-UHFFFAOYSA-N
XLogP2.45
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[4-[(cyclopentylamino)methyl]oxan-3-yl]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

(4-Methoxymethylpiperidin-4-yl)carbamic acid tert-butyl ester
CID 67957499
Tert-butyl 3-(morpholin-3-yl)pyrrolidine-1-carboxylate
CID 82665350
tert-butyl N-[[2-[1-(oxan-4-yl)ethylamino]cyclopentyl]methyl]carbamate
CID 84589299
tert-butyl (1R,3S)-3-(morpholinomethyl)cyclopentylcarbamate
CID 18453496
tert-butyl N-[(1S)-2-methoxy-1-pyrrolidin-3-ylethyl]carbamate
CID 22867692
[1-(2-methoxyethyl)piperidin-4-yl]methyl N-cyclopentylcarbamate
CID 44543840
tert-Butyl 1-[(tetrahydro-2H-pyran-4-yl)methyl]piperidin-4-ylcarbamate
CID 53256266
rel-1,1-Dimethylethyl N-[(3R,4S)-3-methoxy-4-piperidinyl]carbamate
CID 57707458
tert-butyl N-(4-propan-2-yloxan-3-yl)carbamate
CID 58067197
Ethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-propoxypiperidine-1-carboxylate
CID 58074903
trans-4-(Boc-amino)-3-methoxypiperidine
CID 58522529
tert-butyl ((3S,4R)-3-methoxypiperidin-4-yl)carbamate
CID 58801704

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[(cyclopentylamino)methyl]oxan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[4-[(cyclopentylamino)methyl]oxan-3-yl]carbamate (CID 123168654) is tert-butyl N-[4-[(cyclopentylamino)methyl]oxan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[(cyclopentylamino)methyl]oxan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-[(cyclopentylamino)methyl]oxan-3-yl]carbamate is CC(C)(C)OC(=O)NC1COCCC1CNC1CCCC1.
What is the InChIKey of tert-butyl N-[4-[(cyclopentylamino)methyl]oxan-3-yl]carbamate?
The InChIKey is BPNQJLSMESAMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-16(2,3)21-15(19)18-14-11-20-9-8-12(14)10-17-13-6-4-5-7-13/h12-14,17H,4-11H2,1-3H3,(H,18,19).
What are the key properties of tert-butyl N-[4-[(cyclopentylamino)methyl]oxan-3-yl]carbamate?
tert-butyl N-[4-[(cyclopentylamino)methyl]oxan-3-yl]carbamate has a molecular weight of 298.43 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[(cyclopentylamino)methyl]oxan-3-yl]carbamate is sourced from PubChem (CID 123168654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).