tert-butyl N-[3-(1-pyrrolidin-1-ylpropan-2-ylamino)cyclohexyl]carbamate

C18H35N3O2 — CID 103720166

IUPACtert-butyl N-[3-(1-pyrrolidin-1-ylpropan-2-ylamino)cyclohexyl]carbamate
SMILESCC(CN1CCCC1)NC1CCCC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H35N3O2/c1-14(13-21-10-5-6-11-21)19-15-8-7-9-16(12-15)20-17(22)23-18(2,3)4/h14-16,19H,5-13H2,1-4H3,(H,20,22)
InChIKeyPQOYIDDZDBPRRN-UHFFFAOYSA-N
MW325.50 g/mol
LogP2.90
Rot. Bonds5

About tert-butyl N-[3-(1-pyrrolidin-1-ylpropan-2-ylamino)cyclohexyl]carbamate

tert-butyl N-[3-(1-pyrrolidin-1-ylpropan-2-ylamino)cyclohexyl]carbamate (PubChem CID 103720166) has the molecular formula C18H35N3O2 and a molecular weight of 325.50 g/mol. Its IUPAC name is tert-butyl N-[3-(1-pyrrolidin-1-ylpropan-2-ylamino)cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(1-pyrrolidin-1-ylpropan-2-ylamino)cyclohexyl]carbamate
PubChem CID103720166
Molecular FormulaC18H35N3O2
Molecular Weight325.50 g/mol
Exact Mass325.27
IUPAC Nametert-butyl N-[3-(1-pyrrolidin-1-ylpropan-2-ylamino)cyclohexyl]carbamate
SMILESCC(CN1CCCC1)NC1CCCC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H35N3O2/c1-14(13-21-10-5-6-11-21)19-15-8-7-9-16(12-15)20-17(22)23-18(2,3)4/h14-16,19H,5-13H2,1-4H3,(H,20,22)
InChIKeyPQOYIDDZDBPRRN-UHFFFAOYSA-N
XLogP2.90
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3-(1-piperidin-1-ylpropan-2-ylamino)cyclobutyl]carbamate
CID 103759524
tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
tert-butyl N-[3-[1-(diethylamino)propan-2-ylamino]cyclohexyl]carbamate
CID 103720194
tert-butyl N-[3-(4-methylsulfinylbutan-2-ylamino)cyclohexyl]carbamate
CID 104866904
tert-butyl N-[3-(4-methylpentan-2-ylamino)cyclopentyl]carbamate
CID 79461433
tert-butyl N-[3-(2-piperidin-1-ylethylamino)cyclohexyl]carbamate
CID 103720174
tert-butyl N-[(1S,3S)-3-(2-methylpropanoylamino)cyclohexyl]carbamate
CID 99581442
tert-butyl N-[3-[[(1S)-1-cyclohexylethyl]amino]cyclohexyl]carbamate
CID 103791676
tert-butyl N-[3-(piperidin-1-ylamino)cyclohexyl]carbamate
CID 83009142
tert-butyl N-[3-(heptan-2-ylamino)cyclopentyl]carbamate
CID 79462216
tert-butyl N-[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]carbamate
CID 86330277
tert-butyl N-[(1R,3S)-3-(4-methylpiperazine-1-carbonyl)cyclohexyl]carbamate
CID 129306101

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(1-pyrrolidin-1-ylpropan-2-ylamino)cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[3-(1-pyrrolidin-1-ylpropan-2-ylamino)cyclohexyl]carbamate (CID 103720166) is tert-butyl N-[3-(1-pyrrolidin-1-ylpropan-2-ylamino)cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(1-pyrrolidin-1-ylpropan-2-ylamino)cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(1-pyrrolidin-1-ylpropan-2-ylamino)cyclohexyl]carbamate is CC(CN1CCCC1)NC1CCCC(NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[3-(1-pyrrolidin-1-ylpropan-2-ylamino)cyclohexyl]carbamate?
The InChIKey is PQOYIDDZDBPRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O2/c1-14(13-21-10-5-6-11-21)19-15-8-7-9-16(12-15)20-17(22)23-18(2,3)4/h14-16,19H,5-13H2,1-4H3,(H,20,22).
What are the key properties of tert-butyl N-[3-(1-pyrrolidin-1-ylpropan-2-ylamino)cyclohexyl]carbamate?
tert-butyl N-[3-(1-pyrrolidin-1-ylpropan-2-ylamino)cyclohexyl]carbamate has a molecular weight of 325.50 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(1-pyrrolidin-1-ylpropan-2-ylamino)cyclohexyl]carbamate is sourced from PubChem (CID 103720166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).