tert-butyl N-[4-[(1,5-dimethylpyrrolidin-3-yl)amino]cyclohexyl]carbamate

C17H33N3O2 — CID 103785646

IUPACtert-butyl N-[4-[(1,5-dimethylpyrrolidin-3-yl)amino]cyclohexyl]carbamate
SMILESCC1CC(NC2CCC(NC(=O)OC(C)(C)C)CC2)CN1C
InChIInChI=1S/C17H33N3O2/c1-12-10-15(11-20(12)5)18-13-6-8-14(9-7-13)19-16(21)22-17(2,3)4/h12-15,18H,6-11H2,1-5H3,(H,19,21)
InChIKeyFZZVKOYBEMQMFL-UHFFFAOYSA-N
MW311.47 g/mol
LogP2.50
Rot. Bonds3

About tert-butyl N-[4-[(1,5-dimethylpyrrolidin-3-yl)amino]cyclohexyl]carbamate

tert-butyl N-[4-[(1,5-dimethylpyrrolidin-3-yl)amino]cyclohexyl]carbamate (PubChem CID 103785646) has the molecular formula C17H33N3O2 and a molecular weight of 311.47 g/mol. Its IUPAC name is tert-butyl N-[4-[(1,5-dimethylpyrrolidin-3-yl)amino]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[(1,5-dimethylpyrrolidin-3-yl)amino]cyclohexyl]carbamate
PubChem CID103785646
Molecular FormulaC17H33N3O2
Molecular Weight311.47 g/mol
Exact Mass311.26
IUPAC Nametert-butyl N-[4-[(1,5-dimethylpyrrolidin-3-yl)amino]cyclohexyl]carbamate
SMILESCC1CC(NC2CCC(NC(=O)OC(C)(C)C)CC2)CN1C
InChIInChI=1S/C17H33N3O2/c1-12-10-15(11-20(12)5)18-13-6-8-14(9-7-13)19-16(21)22-17(2,3)4/h12-15,18H,6-11H2,1-5H3,(H,19,21)
InChIKeyFZZVKOYBEMQMFL-UHFFFAOYSA-N
XLogP2.50
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3-(cyclobutylamino)cyclopentyl]carbamate
CID 79461260
tert-butyl N-[4-[(3-propan-2-ylcyclobutyl)amino]cyclohexyl]carbamate
CID 103578438
tert-butyl N-[4-[(3-methoxycyclopentyl)amino]cyclohexyl]carbamate
CID 103082835
tert-butyl N-[3-(cycloheptylamino)cyclopentyl]carbamate
CID 79461407
tert-butyl N-[2-[(1,2,5-trimethylpiperidin-4-yl)amino]cyclopropyl]carbamate
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tert-butyl N-(4-aminocyclohexyl)carbamate;dihydrochloride
CID 140801985
tert-butyl N-[3-[(1-acetylpiperidin-4-yl)amino]cyclobutyl]carbamate
CID 103759512
tert-butyl 2-[(1,5-dimethylpyrrolidin-3-yl)amino]acetate
CID 81467364
tert-butyl N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]carbamate
CID 98043496
tert-butyl N-(1-methylpiperidin-4-yl)carbamate;ethane
CID 142994161
tert-butyl N-(4-arsanylcyclohexyl)carbamate
CID 173124516
[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]azanium
CID 7021549

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[(1,5-dimethylpyrrolidin-3-yl)amino]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-[(1,5-dimethylpyrrolidin-3-yl)amino]cyclohexyl]carbamate (CID 103785646) is tert-butyl N-[4-[(1,5-dimethylpyrrolidin-3-yl)amino]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[(1,5-dimethylpyrrolidin-3-yl)amino]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[(1,5-dimethylpyrrolidin-3-yl)amino]cyclohexyl]carbamate is CC1CC(NC2CCC(NC(=O)OC(C)(C)C)CC2)CN1C.
What is the InChIKey of tert-butyl N-[4-[(1,5-dimethylpyrrolidin-3-yl)amino]cyclohexyl]carbamate?
The InChIKey is FZZVKOYBEMQMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O2/c1-12-10-15(11-20(12)5)18-13-6-8-14(9-7-13)19-16(21)22-17(2,3)4/h12-15,18H,6-11H2,1-5H3,(H,19,21).
What are the key properties of tert-butyl N-[4-[(1,5-dimethylpyrrolidin-3-yl)amino]cyclohexyl]carbamate?
tert-butyl N-[4-[(1,5-dimethylpyrrolidin-3-yl)amino]cyclohexyl]carbamate has a molecular weight of 311.47 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[(1,5-dimethylpyrrolidin-3-yl)amino]cyclohexyl]carbamate is sourced from PubChem (CID 103785646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).