tert-butyl N-[3-(1-cyclobutylpropan-2-ylamino)propyl]-N-cyclopropylcarbamate

C18H34N2O2 — CID 107242908

IUPACtert-butyl N-[3-(1-cyclobutylpropan-2-ylamino)propyl]-N-cyclopropylcarbamate
SMILESCC(CC1CCC1)NCCCN(C(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C18H34N2O2/c1-14(13-15-7-5-8-15)19-11-6-12-20(16-9-10-16)17(21)22-18(2,3)4/h14-16,19H,5-13H2,1-4H3
InChIKeyYWXYSIYTSTZODL-UHFFFAOYSA-N
MW310.48 g/mol
LogP3.94
Rot. Bonds8

About tert-butyl N-[3-(1-cyclobutylpropan-2-ylamino)propyl]-N-cyclopropylcarbamate

tert-butyl N-[3-(1-cyclobutylpropan-2-ylamino)propyl]-N-cyclopropylcarbamate (PubChem CID 107242908) has the molecular formula C18H34N2O2 and a molecular weight of 310.48 g/mol. Its IUPAC name is tert-butyl N-[3-(1-cyclobutylpropan-2-ylamino)propyl]-N-cyclopropylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(1-cyclobutylpropan-2-ylamino)propyl]-N-cyclopropylcarbamate
PubChem CID107242908
Molecular FormulaC18H34N2O2
Molecular Weight310.48 g/mol
Exact Mass310.26
IUPAC Nametert-butyl N-[3-(1-cyclobutylpropan-2-ylamino)propyl]-N-cyclopropylcarbamate
SMILESCC(CC1CCC1)NCCCN(C(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C18H34N2O2/c1-14(13-15-7-5-8-15)19-11-6-12-20(16-9-10-16)17(21)22-18(2,3)4/h14-16,19H,5-13H2,1-4H3
InChIKeyYWXYSIYTSTZODL-UHFFFAOYSA-N
XLogP3.94
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-cyclopropyl-N-[2-(1-cyclopropylpropan-2-ylamino)ethyl]carbamate
CID 103780880
tert-butyl N-cyclopropyl-N-[3-(1-ethoxypropan-2-ylamino)propyl]carbamate
CID 103781366
tert-butyl N-[3-(1-cyclobutylpropan-2-ylamino)propyl]carbamate
CID 103781099
tert-butyl N-cyclobutyl-N-(3-hydroxypropyl)carbamate
CID 22397314
tert-butyl N-cyclopropyl-N-[2-(1-piperidin-2-ylpropan-2-ylamino)ethyl]carbamate
CID 107246413
tert-butyl N-[2-(1-cyclopentylethylamino)ethyl]-N-cyclopropylcarbamate
CID 107246341
tert-butyl N-cyclopropyl-N-[3-(oxan-3-ylmethylamino)propyl]carbamate
CID 103922815
tert-butyl N-cyclopropyl-N-[3-(prop-2-ynylamino)propyl]carbamate
CID 107242920
tert-butyl N-cyclopropyl-N-[3-(piperidin-4-ylmethylamino)propyl]carbamate
CID 107242902
N-(1-cyclobutylpropan-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 115705382
tert-butyl N-butyl-N-cyclopropylcarbamate
CID 63788161
methyl 2-[2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethylamino]propanoate
CID 103711065

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(1-cyclobutylpropan-2-ylamino)propyl]-N-cyclopropylcarbamate?
The IUPAC name of tert-butyl N-[3-(1-cyclobutylpropan-2-ylamino)propyl]-N-cyclopropylcarbamate (CID 107242908) is tert-butyl N-[3-(1-cyclobutylpropan-2-ylamino)propyl]-N-cyclopropylcarbamate.
What is the SMILES notation for tert-butyl N-[3-(1-cyclobutylpropan-2-ylamino)propyl]-N-cyclopropylcarbamate?
The canonical SMILES for tert-butyl N-[3-(1-cyclobutylpropan-2-ylamino)propyl]-N-cyclopropylcarbamate is CC(CC1CCC1)NCCCN(C(=O)OC(C)(C)C)C1CC1.
What is the InChIKey of tert-butyl N-[3-(1-cyclobutylpropan-2-ylamino)propyl]-N-cyclopropylcarbamate?
The InChIKey is YWXYSIYTSTZODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O2/c1-14(13-15-7-5-8-15)19-11-6-12-20(16-9-10-16)17(21)22-18(2,3)4/h14-16,19H,5-13H2,1-4H3.
What are the key properties of tert-butyl N-[3-(1-cyclobutylpropan-2-ylamino)propyl]-N-cyclopropylcarbamate?
tert-butyl N-[3-(1-cyclobutylpropan-2-ylamino)propyl]-N-cyclopropylcarbamate has a molecular weight of 310.48 g/mol, XLogP of 3.94, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(1-cyclobutylpropan-2-ylamino)propyl]-N-cyclopropylcarbamate is sourced from PubChem (CID 107242908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).