tert-butyl N-[2-(pyrrolidin-3-ylamino)cycloheptyl]carbamate

C16H31N3O2 — CID 107244169

IUPACtert-butyl N-[2-(pyrrolidin-3-ylamino)cycloheptyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCCCC1NC1CCNC1
InChIInChI=1S/C16H31N3O2/c1-16(2,3)21-15(20)19-14-8-6-4-5-7-13(14)18-12-9-10-17-11-12/h12-14,17-18H,4-11H2,1-3H3,(H,19,20)
InChIKeyVAUWXTOJLPHXNG-UHFFFAOYSA-N
MW297.44 g/mol
LogP2.16
Rot. Bonds3

About tert-butyl N-[2-(pyrrolidin-3-ylamino)cycloheptyl]carbamate

tert-butyl N-[2-(pyrrolidin-3-ylamino)cycloheptyl]carbamate (PubChem CID 107244169) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is tert-butyl N-[2-(pyrrolidin-3-ylamino)cycloheptyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(pyrrolidin-3-ylamino)cycloheptyl]carbamate
PubChem CID107244169
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Nametert-butyl N-[2-(pyrrolidin-3-ylamino)cycloheptyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCCCC1NC1CCNC1
InChIInChI=1S/C16H31N3O2/c1-16(2,3)21-15(20)19-14-8-6-4-5-7-13(14)18-12-9-10-17-11-12/h12-14,17-18H,4-11H2,1-3H3,(H,19,20)
InChIKeyVAUWXTOJLPHXNG-UHFFFAOYSA-N
XLogP2.16
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[2-(pyrrolidin-3-ylamino)cycloheptyl]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-(azepan-4-ylamino)cycloheptyl]carbamate
CID 107244081
tert-butyl N-[(1S,2S)-2-(cyclohexylamino)cyclohexyl]carbamate
CID 129409949
tert-butyl N-[2-[(1-methylpiperidin-3-yl)amino]cycloheptyl]carbamate
CID 103082525
tert-butyl N-[(3S)-azepan-3-yl]carbamate;oxalic acid
CID 154705936
[(3S,4R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]carbamic acid
CID 69017541
tert-butyl N-[2-[(1-methylpiperidin-4-yl)amino]cyclopentyl]carbamate
CID 86794453
tert-butyl N-[(3R,4S)-4-hydroxypiperidin-3-yl]carbamate
CID 118178604
tert-butyl N-[(4S)-4-hydroxypiperidin-3-yl]carbamate
CID 118297090
tert-butyl N-[(3S)-azepan-3-yl]carbamate;tert-butyl N-[(3R)-azepan-3-yl]carbamate;tert-butyl N-[(4S)-azepan-4-yl]carbamate;tert-butyl N-[(4R)-azepan-4-yl]carbamate;tert-butyl N-[(3S)-piperidin-3-yl]carbamate;tert-butyl N-[(3R)-piperidin-3-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;tert-butyl N-[(3S)-pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R)-pyrrolidin-3-yl]carbamate;3-methylazetidine
CID 157216314
tert-butyl N-[[2-(piperidin-3-ylamino)cyclohexyl]methyl]carbamate
CID 107251407
tert-butyl N-[(2S)-2-(methylamino)cyclohexyl]carbamate
CID 163904666
tert-butyl N-[(3R,4S)-3-hydroxypiperidin-4-yl]carbamate;carbamic acid
CID 69182337

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(pyrrolidin-3-ylamino)cycloheptyl]carbamate?
The IUPAC name of tert-butyl N-[2-(pyrrolidin-3-ylamino)cycloheptyl]carbamate (CID 107244169) is tert-butyl N-[2-(pyrrolidin-3-ylamino)cycloheptyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(pyrrolidin-3-ylamino)cycloheptyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(pyrrolidin-3-ylamino)cycloheptyl]carbamate is CC(C)(C)OC(=O)NC1CCCCCC1NC1CCNC1.
What is the InChIKey of tert-butyl N-[2-(pyrrolidin-3-ylamino)cycloheptyl]carbamate?
The InChIKey is VAUWXTOJLPHXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-16(2,3)21-15(20)19-14-8-6-4-5-7-13(14)18-12-9-10-17-11-12/h12-14,17-18H,4-11H2,1-3H3,(H,19,20).
What are the key properties of tert-butyl N-[2-(pyrrolidin-3-ylamino)cycloheptyl]carbamate?
tert-butyl N-[2-(pyrrolidin-3-ylamino)cycloheptyl]carbamate has a molecular weight of 297.44 g/mol, XLogP of 2.16, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(pyrrolidin-3-ylamino)cycloheptyl]carbamate is sourced from PubChem (CID 107244169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).