tert-butyl N-[2-(cycloheptylmethylamino)ethyl]-N-propylcarbamate

C18H36N2O2 — CID 107246252

IUPACtert-butyl N-[2-(cycloheptylmethylamino)ethyl]-N-propylcarbamate
SMILESCCCN(CCNCC1CCCCCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C18H36N2O2/c1-5-13-20(17(21)22-18(2,3)4)14-12-19-15-16-10-8-6-7-9-11-16/h16,19H,5-15H2,1-4H3
InChIKeyIDQGDBRAWQHSKO-UHFFFAOYSA-N
MW312.50 g/mol
LogP4.19
Rot. Bonds7

About tert-butyl N-[2-(cycloheptylmethylamino)ethyl]-N-propylcarbamate

tert-butyl N-[2-(cycloheptylmethylamino)ethyl]-N-propylcarbamate (PubChem CID 107246252) has the molecular formula C18H36N2O2 and a molecular weight of 312.50 g/mol. Its IUPAC name is tert-butyl N-[2-(cycloheptylmethylamino)ethyl]-N-propylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(cycloheptylmethylamino)ethyl]-N-propylcarbamate
PubChem CID107246252
Molecular FormulaC18H36N2O2
Molecular Weight312.50 g/mol
Exact Mass312.28
IUPAC Nametert-butyl N-[2-(cycloheptylmethylamino)ethyl]-N-propylcarbamate
SMILESCCCN(CCNCC1CCCCCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C18H36N2O2/c1-5-13-20(17(21)22-18(2,3)4)14-12-19-15-16-10-8-6-7-9-11-16/h16,19H,5-15H2,1-4H3
InChIKeyIDQGDBRAWQHSKO-UHFFFAOYSA-N
XLogP4.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.50
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-(cyclohexylmethylamino)ethyl]-N-propylcarbamate
CID 107246090
tert-butyl N-[2-(cyclobutylmethylamino)ethyl]-N-propylcarbamate
CID 107246153
tert-butyl N-[2-(piperidin-2-ylmethylamino)ethyl]-N-propylcarbamate
CID 107246109
tert-butyl N-[2-(2,2-dimethylpropylamino)ethyl]-N-propylcarbamate
CID 103846720
tert-butyl N-ethyl-N-[2-(piperidin-3-ylmethylamino)ethyl]carbamate
CID 107245281
tert-butyl N-ethyl-N-[2-(piperidin-4-ylmethylamino)ethyl]carbamate
CID 107245368
tert-butyl N-[2-(cyclobutylmethylamino)ethyl]-N-methylcarbamate
CID 107245079
tert-butyl N-[2-(cyclopentylmethylcarbamoylamino)ethyl]-N-ethylcarbamate
CID 51135947
tert-butyl N-[2-[(3-hydroxy-2,2-dimethylpropyl)amino]ethyl]-N-propylcarbamate
CID 107246113
tert-butyl N-tert-butyl-N-[2-(cyclopropylmethylamino)ethyl]carbamate
CID 107444454
tert-butyl N-[2-(oxan-4-ylamino)ethyl]-N-propylcarbamate
CID 103846759
tert-butyl N-[2-[(2,2-dimethylcyclopentyl)amino]ethyl]-N-propylcarbamate
CID 107246107

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(cycloheptylmethylamino)ethyl]-N-propylcarbamate?
The IUPAC name of tert-butyl N-[2-(cycloheptylmethylamino)ethyl]-N-propylcarbamate (CID 107246252) is tert-butyl N-[2-(cycloheptylmethylamino)ethyl]-N-propylcarbamate.
What is the SMILES notation for tert-butyl N-[2-(cycloheptylmethylamino)ethyl]-N-propylcarbamate?
The canonical SMILES for tert-butyl N-[2-(cycloheptylmethylamino)ethyl]-N-propylcarbamate is CCCN(CCNCC1CCCCCC1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(cycloheptylmethylamino)ethyl]-N-propylcarbamate?
The InChIKey is IDQGDBRAWQHSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O2/c1-5-13-20(17(21)22-18(2,3)4)14-12-19-15-16-10-8-6-7-9-11-16/h16,19H,5-15H2,1-4H3.
What are the key properties of tert-butyl N-[2-(cycloheptylmethylamino)ethyl]-N-propylcarbamate?
tert-butyl N-[2-(cycloheptylmethylamino)ethyl]-N-propylcarbamate has a molecular weight of 312.50 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(cycloheptylmethylamino)ethyl]-N-propylcarbamate is sourced from PubChem (CID 107246252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).