2,4,4-trimethylpentan-2-yl N-[(1S,3R)-3-aminocyclopentyl]carbamate

C14H28N2O2 — CID 168822851

IUPAC2,4,4-trimethylpentan-2-yl N-[(1S,3R)-3-aminocyclopentyl]carbamate
SMILESCC(C)(C)CC(C)(C)OC(=O)N[C@H]1CC[C@@H](N)C1
InChIInChI=1S/C14H28N2O2/c1-13(2,3)9-14(4,5)18-12(17)16-11-7-6-10(15)8-11/h10-11H,6-9,15H2,1-5H3,(H,16,17)/t10-,11+/m1/s1
InChIKeyAAFJMZAMHHVYAV-MNOVXSKESA-N
MW256.39 g/mol
LogP2.81
Rot. Bonds3

About 2,4,4-trimethylpentan-2-yl N-[(1S,3R)-3-aminocyclopentyl]carbamate

2,4,4-trimethylpentan-2-yl N-[(1S,3R)-3-aminocyclopentyl]carbamate (PubChem CID 168822851) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2,4,4-trimethylpentan-2-yl N-[(1S,3R)-3-aminocyclopentyl]carbamate.

Molecular Properties

Compound Name2,4,4-trimethylpentan-2-yl N-[(1S,3R)-3-aminocyclopentyl]carbamate
PubChem CID168822851
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name2,4,4-trimethylpentan-2-yl N-[(1S,3R)-3-aminocyclopentyl]carbamate
SMILESCC(C)(C)CC(C)(C)OC(=O)N[C@H]1CC[C@@H](N)C1
InChIInChI=1S/C14H28N2O2/c1-13(2,3)9-14(4,5)18-12(17)16-11-7-6-10(15)8-11/h10-11H,6-9,15H2,1-5H3,(H,16,17)/t10-,11+/m1/s1
InChIKeyAAFJMZAMHHVYAV-MNOVXSKESA-N
XLogP2.81
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(1S)-3-aminocyclopentyl]carbamate
CID 129185983
tert-butyl N-(3-aminocyclopentyl)carbamate;hydrochloride
CID 45156792
tert-butyl N-[(1R)-3-aminocyclohexyl]carbamate
CID 148734897
(1R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid;trans-(1R,3R)-3-aminocyclopentane-1-carboxylic acid;hydrochloride
CID 158831950
tert-butyl N-(4-aminocyclohexyl)carbamate;dihydrochloride
CID 140801985
N-(3-aminocyclopentyl)-4,4-dimethylpentanamide
CID 115272907
2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]ethyl acetate
CID 175325980
[(1R,3R)-3-aminocyclopentyl] methanesulfonate;[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl] methanesulfonate
CID 160547885
tert-butyl N-(4-aminocyclooctyl)carbamate
CID 147656644
(4-aminocyclohexyl)methanol;tert-butyl N-[4-(hydroxymethyl)cyclohexyl]carbamate;hydrochloride
CID 159376194
tert-butyl N-[(1R,3R)-3-(aminomethyl)cyclohexyl]carbamate
CID 71685847
N-(3-aminocyclopentyl)propanamide
CID 83619264

Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethylpentan-2-yl N-[(1S,3R)-3-aminocyclopentyl]carbamate?
The IUPAC name of 2,4,4-trimethylpentan-2-yl N-[(1S,3R)-3-aminocyclopentyl]carbamate (CID 168822851) is 2,4,4-trimethylpentan-2-yl N-[(1S,3R)-3-aminocyclopentyl]carbamate.
What is the SMILES notation for 2,4,4-trimethylpentan-2-yl N-[(1S,3R)-3-aminocyclopentyl]carbamate?
The canonical SMILES for 2,4,4-trimethylpentan-2-yl N-[(1S,3R)-3-aminocyclopentyl]carbamate is CC(C)(C)CC(C)(C)OC(=O)N[C@H]1CC[C@@H](N)C1.
What is the InChIKey of 2,4,4-trimethylpentan-2-yl N-[(1S,3R)-3-aminocyclopentyl]carbamate?
The InChIKey is AAFJMZAMHHVYAV-MNOVXSKESA-N. The full InChI is InChI=1S/C14H28N2O2/c1-13(2,3)9-14(4,5)18-12(17)16-11-7-6-10(15)8-11/h10-11H,6-9,15H2,1-5H3,(H,16,17)/t10-,11+/m1/s1.
What are the key properties of 2,4,4-trimethylpentan-2-yl N-[(1S,3R)-3-aminocyclopentyl]carbamate?
2,4,4-trimethylpentan-2-yl N-[(1S,3R)-3-aminocyclopentyl]carbamate has a molecular weight of 256.39 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethylpentan-2-yl N-[(1S,3R)-3-aminocyclopentyl]carbamate is sourced from PubChem (CID 168822851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).