tert-butyl N-[2-cyclopropyl-2-[(2,4,4-trimethylcyclopentyl)amino]ethyl]carbamate

C18H34N2O2 — CID 107251762

IUPACtert-butyl N-[2-cyclopropyl-2-[(2,4,4-trimethylcyclopentyl)amino]ethyl]carbamate
SMILESCC1CC(C)(C)CC1NC(CNC(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C18H34N2O2/c1-12-9-18(5,6)10-14(12)20-15(13-7-8-13)11-19-16(21)22-17(2,3)4/h12-15,20H,7-11H2,1-6H3,(H,19,21)
InChIKeyOYLGFLWYAHLCJJ-UHFFFAOYSA-N
MW310.48 g/mol
LogP3.70
Rot. Bonds5

About tert-butyl N-[2-cyclopropyl-2-[(2,4,4-trimethylcyclopentyl)amino]ethyl]carbamate

tert-butyl N-[2-cyclopropyl-2-[(2,4,4-trimethylcyclopentyl)amino]ethyl]carbamate (PubChem CID 107251762) has the molecular formula C18H34N2O2 and a molecular weight of 310.48 g/mol. Its IUPAC name is tert-butyl N-[2-cyclopropyl-2-[(2,4,4-trimethylcyclopentyl)amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-cyclopropyl-2-[(2,4,4-trimethylcyclopentyl)amino]ethyl]carbamate
PubChem CID107251762
Molecular FormulaC18H34N2O2
Molecular Weight310.48 g/mol
Exact Mass310.26
IUPAC Nametert-butyl N-[2-cyclopropyl-2-[(2,4,4-trimethylcyclopentyl)amino]ethyl]carbamate
SMILESCC1CC(C)(C)CC1NC(CNC(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C18H34N2O2/c1-12-9-18(5,6)10-14(12)20-15(13-7-8-13)11-19-16(21)22-17(2,3)4/h12-15,20H,7-11H2,1-6H3,(H,19,21)
InChIKeyOYLGFLWYAHLCJJ-UHFFFAOYSA-N
XLogP3.70
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

tert-butyl N-[2-cyclopropyl-2-(methylamino)ethyl]carbamate
CID 67448024
tert-butyl N-[(2R)-2-cyclopropyl-2-(methylamino)ethyl]carbamate
CID 97300299
tert-butyl N-[2-[(2,4,4-trimethylcyclohexyl)amino]pentyl]carbamate
CID 107253767
tert-butyl N-[2-cyclopropyl-2-[(1-oxothian-4-yl)amino]ethyl]carbamate
CID 107251822
tert-butyl N-[2-cyclopropyl-2-[(4-ethylcyclohexyl)amino]ethyl]carbamate
CID 103699773
tert-butyl N-[2-(6-bicyclo[3.2.0]hept-3-enylamino)-2-cyclopropylethyl]carbamate
CID 107251805
tert-butyl N-[2-(butan-2-ylamino)-2-cyclopropylethyl]carbamate
CID 103785747
tert-butyl N-[2-(azepan-4-ylamino)-2-cyclopropylethyl]carbamate
CID 107251793
methyl 2-[[1-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]propanoate
CID 104578296
tert-butyl N-[2-cyclopropyl-2-[(1-methylpiperidin-3-yl)amino]ethyl]carbamate
CID 107251790
tert-butyl N-[2-cyclopropyl-2-[(3-ethylcyclohexyl)amino]ethyl]carbamate
CID 103699774
tert-butyl N-[2-cyclopropyl-2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]ethyl]carbamate
CID 113350804

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-cyclopropyl-2-[(2,4,4-trimethylcyclopentyl)amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-cyclopropyl-2-[(2,4,4-trimethylcyclopentyl)amino]ethyl]carbamate (CID 107251762) is tert-butyl N-[2-cyclopropyl-2-[(2,4,4-trimethylcyclopentyl)amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-cyclopropyl-2-[(2,4,4-trimethylcyclopentyl)amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-cyclopropyl-2-[(2,4,4-trimethylcyclopentyl)amino]ethyl]carbamate is CC1CC(C)(C)CC1NC(CNC(=O)OC(C)(C)C)C1CC1.
What is the InChIKey of tert-butyl N-[2-cyclopropyl-2-[(2,4,4-trimethylcyclopentyl)amino]ethyl]carbamate?
The InChIKey is OYLGFLWYAHLCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O2/c1-12-9-18(5,6)10-14(12)20-15(13-7-8-13)11-19-16(21)22-17(2,3)4/h12-15,20H,7-11H2,1-6H3,(H,19,21).
What are the key properties of tert-butyl N-[2-cyclopropyl-2-[(2,4,4-trimethylcyclopentyl)amino]ethyl]carbamate?
tert-butyl N-[2-cyclopropyl-2-[(2,4,4-trimethylcyclopentyl)amino]ethyl]carbamate has a molecular weight of 310.48 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-cyclopropyl-2-[(2,4,4-trimethylcyclopentyl)amino]ethyl]carbamate is sourced from PubChem (CID 107251762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).