tert-butyl N-[3-[(2,2,3,3-tetramethylcyclopropyl)methylamino]cyclopentyl]carbamate

C18H34N2O2 — CID 103719960

IUPACtert-butyl N-[3-[(2,2,3,3-tetramethylcyclopropyl)methylamino]cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(NCC2C(C)(C)C2(C)C)C1
InChIInChI=1S/C18H34N2O2/c1-16(2,3)22-15(21)20-13-9-8-12(10-13)19-11-14-17(4,5)18(14,6)7/h12-14,19H,8-11H2,1-7H3,(H,20,21)
InChIKeyZPHLEBKWMXBMBS-UHFFFAOYSA-N
MW310.48 g/mol
LogP3.70
Rot. Bonds4

About tert-butyl N-[3-[(2,2,3,3-tetramethylcyclopropyl)methylamino]cyclopentyl]carbamate

tert-butyl N-[3-[(2,2,3,3-tetramethylcyclopropyl)methylamino]cyclopentyl]carbamate (PubChem CID 103719960) has the molecular formula C18H34N2O2 and a molecular weight of 310.48 g/mol. Its IUPAC name is tert-butyl N-[3-[(2,2,3,3-tetramethylcyclopropyl)methylamino]cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(2,2,3,3-tetramethylcyclopropyl)methylamino]cyclopentyl]carbamate
PubChem CID103719960
Molecular FormulaC18H34N2O2
Molecular Weight310.48 g/mol
Exact Mass310.26
IUPAC Nametert-butyl N-[3-[(2,2,3,3-tetramethylcyclopropyl)methylamino]cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(NCC2C(C)(C)C2(C)C)C1
InChIInChI=1S/C18H34N2O2/c1-16(2,3)22-15(21)20-13-9-8-12(10-13)19-11-14-17(4,5)18(14,6)7/h12-14,19H,8-11H2,1-7H3,(H,20,21)
InChIKeyZPHLEBKWMXBMBS-UHFFFAOYSA-N
XLogP3.70
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 158239331
2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]amino]acetic acid
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tert-butyl N-[3-(pentylamino)cyclopentyl]carbamate
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tert-butyl N-[3-[(5-amino-5-oxopentyl)amino]cyclopentyl]carbamate
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CID 80584361
tert-butyl N-[3-(4-methylpentylamino)cyclopentyl]carbamate
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tert-butyl N-[3-(4,4,4-trifluorobutylamino)cyclopentyl]carbamate
CID 115516381
tert-butyl N-[(1S,3R)-3-(ethylamino)cyclohexyl]carbamate
CID 72544342
tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
tert-butyl N-[3-[(2,2-dimethylcyclopropyl)amino]cyclopentyl]carbamate
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tert-butyl N-[3-[(3-hydroxycyclopentyl)methylamino]cyclohexyl]carbamate
CID 106120887

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(2,2,3,3-tetramethylcyclopropyl)methylamino]cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(2,2,3,3-tetramethylcyclopropyl)methylamino]cyclopentyl]carbamate (CID 103719960) is tert-butyl N-[3-[(2,2,3,3-tetramethylcyclopropyl)methylamino]cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(2,2,3,3-tetramethylcyclopropyl)methylamino]cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(2,2,3,3-tetramethylcyclopropyl)methylamino]cyclopentyl]carbamate is CC(C)(C)OC(=O)NC1CCC(NCC2C(C)(C)C2(C)C)C1.
What is the InChIKey of tert-butyl N-[3-[(2,2,3,3-tetramethylcyclopropyl)methylamino]cyclopentyl]carbamate?
The InChIKey is ZPHLEBKWMXBMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O2/c1-16(2,3)22-15(21)20-13-9-8-12(10-13)19-11-14-17(4,5)18(14,6)7/h12-14,19H,8-11H2,1-7H3,(H,20,21).
What are the key properties of tert-butyl N-[3-[(2,2,3,3-tetramethylcyclopropyl)methylamino]cyclopentyl]carbamate?
tert-butyl N-[3-[(2,2,3,3-tetramethylcyclopropyl)methylamino]cyclopentyl]carbamate has a molecular weight of 310.48 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(2,2,3,3-tetramethylcyclopropyl)methylamino]cyclopentyl]carbamate is sourced from PubChem (CID 103719960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).