tert-butyl N-[2-[(4-ethylcycloheptyl)amino]cyclopentyl]carbamate

C19H36N2O2 — CID 107243613

IUPACtert-butyl N-[2-[(4-ethylcycloheptyl)amino]cyclopentyl]carbamate
SMILESCCC1CCCC(NC2CCCC2NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C19H36N2O2/c1-5-14-8-6-9-15(13-12-14)20-16-10-7-11-17(16)21-18(22)23-19(2,3)4/h14-17,20H,5-13H2,1-4H3,(H,21,22)
InChIKeyNYGCKGUVAIQGHR-UHFFFAOYSA-N
MW324.51 g/mol
LogP4.38
Rot. Bonds4

About tert-butyl N-[2-[(4-ethylcycloheptyl)amino]cyclopentyl]carbamate

tert-butyl N-[2-[(4-ethylcycloheptyl)amino]cyclopentyl]carbamate (PubChem CID 107243613) has the molecular formula C19H36N2O2 and a molecular weight of 324.51 g/mol. Its IUPAC name is tert-butyl N-[2-[(4-ethylcycloheptyl)amino]cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(4-ethylcycloheptyl)amino]cyclopentyl]carbamate
PubChem CID107243613
Molecular FormulaC19H36N2O2
Molecular Weight324.51 g/mol
Exact Mass324.28
IUPAC Nametert-butyl N-[2-[(4-ethylcycloheptyl)amino]cyclopentyl]carbamate
SMILESCCC1CCCC(NC2CCCC2NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C19H36N2O2/c1-5-14-8-6-9-15(13-12-14)20-16-10-7-11-17(16)21-18(22)23-19(2,3)4/h14-17,20H,5-13H2,1-4H3,(H,21,22)
InChIKeyNYGCKGUVAIQGHR-UHFFFAOYSA-N
XLogP4.38
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.51
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(1S,2S)-2-(cyclohexylamino)cyclohexyl]carbamate
CID 129409949
tert-butyl N-[2-[(3-ethylcyclohexyl)amino]cyclopropyl]carbamate
CID 107237906
tert-butyl N-[3-[(4-ethylcyclohexyl)amino]cyclopentyl]carbamate
CID 103719843
tert-butyl N-[2-[(1-methylpiperidin-4-yl)amino]cyclopentyl]carbamate
CID 86794453
tert-butyl N-[2-[(2-ethylcyclohexyl)amino]cyclopentyl]carbamate
CID 107243819
tert-butyl N-[2-[(3-ethoxycyclobutyl)amino]cyclopentyl]carbamate
CID 102613921
tert-butyl N-[1-[(4-ethylcycloheptyl)amino]-2-methylpropan-2-yl]carbamate
CID 107249963
tert-butyl N-(2-ethylcyclopentyl)carbamate
CID 131075497
tert-butyl N-[2-(azepan-4-ylamino)cycloheptyl]carbamate
CID 107244081
tert-butyl N-[2-[(2,6-dimethylcyclohexyl)amino]cyclopentyl]carbamate
CID 107243716
tert-butyl N-[2-[(1-methylpiperidin-3-yl)amino]cycloheptyl]carbamate
CID 103082525
tert-butyl N-[2-[(4-propan-2-ylcycloheptyl)amino]cyclopropyl]carbamate
CID 107237703

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(4-ethylcycloheptyl)amino]cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(4-ethylcycloheptyl)amino]cyclopentyl]carbamate (CID 107243613) is tert-butyl N-[2-[(4-ethylcycloheptyl)amino]cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(4-ethylcycloheptyl)amino]cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(4-ethylcycloheptyl)amino]cyclopentyl]carbamate is CCC1CCCC(NC2CCCC2NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[2-[(4-ethylcycloheptyl)amino]cyclopentyl]carbamate?
The InChIKey is NYGCKGUVAIQGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2O2/c1-5-14-8-6-9-15(13-12-14)20-16-10-7-11-17(16)21-18(22)23-19(2,3)4/h14-17,20H,5-13H2,1-4H3,(H,21,22).
What are the key properties of tert-butyl N-[2-[(4-ethylcycloheptyl)amino]cyclopentyl]carbamate?
tert-butyl N-[2-[(4-ethylcycloheptyl)amino]cyclopentyl]carbamate has a molecular weight of 324.51 g/mol, XLogP of 4.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(4-ethylcycloheptyl)amino]cyclopentyl]carbamate is sourced from PubChem (CID 107243613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).