tert-butyl N-[[2-(1-pyrrolidin-2-ylpropan-2-ylamino)cyclopentyl]methyl]carbamate

C18H35N3O2 — CID 107251471

IUPACtert-butyl N-[[2-(1-pyrrolidin-2-ylpropan-2-ylamino)cyclopentyl]methyl]carbamate
SMILESCC(CC1CCCN1)NC1CCCC1CNC(=O)OC(C)(C)C
InChIInChI=1S/C18H35N3O2/c1-13(11-15-8-6-10-19-15)21-16-9-5-7-14(16)12-20-17(22)23-18(2,3)4/h13-16,19,21H,5-12H2,1-4H3,(H,20,22)
InChIKeyZBWKMFCMMJAHPE-UHFFFAOYSA-N
MW325.50 g/mol
LogP2.80
Rot. Bonds6

About tert-butyl N-[[2-(1-pyrrolidin-2-ylpropan-2-ylamino)cyclopentyl]methyl]carbamate

tert-butyl N-[[2-(1-pyrrolidin-2-ylpropan-2-ylamino)cyclopentyl]methyl]carbamate (PubChem CID 107251471) has the molecular formula C18H35N3O2 and a molecular weight of 325.50 g/mol. Its IUPAC name is tert-butyl N-[[2-(1-pyrrolidin-2-ylpropan-2-ylamino)cyclopentyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-(1-pyrrolidin-2-ylpropan-2-ylamino)cyclopentyl]methyl]carbamate
PubChem CID107251471
Molecular FormulaC18H35N3O2
Molecular Weight325.50 g/mol
Exact Mass325.27
IUPAC Nametert-butyl N-[[2-(1-pyrrolidin-2-ylpropan-2-ylamino)cyclopentyl]methyl]carbamate
SMILESCC(CC1CCCN1)NC1CCCC1CNC(=O)OC(C)(C)C
InChIInChI=1S/C18H35N3O2/c1-13(11-15-8-6-10-19-15)21-16-9-5-7-14(16)12-20-17(22)23-18(2,3)4/h13-16,19,21H,5-12H2,1-4H3,(H,20,22)
InChIKeyZBWKMFCMMJAHPE-UHFFFAOYSA-N
XLogP2.80
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[[2-(1-pyrrolidin-2-ylpropan-2-ylamino)cyclopentyl]methyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[[2-(piperidin-2-ylmethylamino)cyclopentyl]methyl]carbamate
CID 107251466
tert-butyl N-[[2-[(4-amino-4-oxobutan-2-yl)amino]cyclopentyl]methyl]carbamate
CID 115677358
tert-butyl N-[2-(1-pyrrolidin-2-ylpropan-2-ylamino)cyclopropyl]carbamate
CID 107237914
tert-butyl N-[[2-[1-(diethylamino)propan-2-ylamino]cyclopentyl]methyl]carbamate
CID 103695763
tert-butyl N-[[2-(1,1-difluoropropan-2-ylamino)cyclopentyl]methyl]carbamate
CID 107251475
tert-butyl N-[[2-(1-cyclopentylethylamino)cyclopentyl]methyl]carbamate
CID 103695804
tert-butyl N-[[2-(1-cyclohexylethylamino)cyclopentyl]methyl]carbamate
CID 103695770
tert-butyl N-[2-[1-(azepan-2-yl)propan-2-ylamino]cyclopropyl]carbamate
CID 107238327
tert-butyl N-(pyrrolidin-2-ylmethyl)carbamate;methyl formate
CID 142104824
tert-butyl N-[[2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]cyclopentyl]methyl]carbamate
CID 113242256
methyl 3-methyl-2-[[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentyl]amino]pentanoate
CID 113242246
tert-butyl N-[[2-[(2-hydroxycyclopentyl)methylamino]cyclohexyl]methyl]carbamate
CID 103695845

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-(1-pyrrolidin-2-ylpropan-2-ylamino)cyclopentyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-(1-pyrrolidin-2-ylpropan-2-ylamino)cyclopentyl]methyl]carbamate (CID 107251471) is tert-butyl N-[[2-(1-pyrrolidin-2-ylpropan-2-ylamino)cyclopentyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-(1-pyrrolidin-2-ylpropan-2-ylamino)cyclopentyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-(1-pyrrolidin-2-ylpropan-2-ylamino)cyclopentyl]methyl]carbamate is CC(CC1CCCN1)NC1CCCC1CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[2-(1-pyrrolidin-2-ylpropan-2-ylamino)cyclopentyl]methyl]carbamate?
The InChIKey is ZBWKMFCMMJAHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O2/c1-13(11-15-8-6-10-19-15)21-16-9-5-7-14(16)12-20-17(22)23-18(2,3)4/h13-16,19,21H,5-12H2,1-4H3,(H,20,22).
What are the key properties of tert-butyl N-[[2-(1-pyrrolidin-2-ylpropan-2-ylamino)cyclopentyl]methyl]carbamate?
tert-butyl N-[[2-(1-pyrrolidin-2-ylpropan-2-ylamino)cyclopentyl]methyl]carbamate has a molecular weight of 325.50 g/mol, XLogP of 2.80, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-(1-pyrrolidin-2-ylpropan-2-ylamino)cyclopentyl]methyl]carbamate is sourced from PubChem (CID 107251471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).