tert-butyl N-ethyl-N-[2-[(4-propylcycloheptyl)amino]ethyl]carbamate

C19H38N2O2 — CID 107245484

IUPACtert-butyl N-ethyl-N-[2-[(4-propylcycloheptyl)amino]ethyl]carbamate
SMILESCCCC1CCCC(NCCN(CC)C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C19H38N2O2/c1-6-9-16-10-8-11-17(13-12-16)20-14-15-21(7-2)18(22)23-19(3,4)5/h16-17,20H,6-15H2,1-5H3
InChIKeyPETOIXLVBCOISX-UHFFFAOYSA-N
MW326.52 g/mol
LogP4.58
Rot. Bonds7

About tert-butyl N-ethyl-N-[2-[(4-propylcycloheptyl)amino]ethyl]carbamate

tert-butyl N-ethyl-N-[2-[(4-propylcycloheptyl)amino]ethyl]carbamate (PubChem CID 107245484) has the molecular formula C19H38N2O2 and a molecular weight of 326.52 g/mol. Its IUPAC name is tert-butyl N-ethyl-N-[2-[(4-propylcycloheptyl)amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-ethyl-N-[2-[(4-propylcycloheptyl)amino]ethyl]carbamate
PubChem CID107245484
Molecular FormulaC19H38N2O2
Molecular Weight326.52 g/mol
Exact Mass326.29
IUPAC Nametert-butyl N-ethyl-N-[2-[(4-propylcycloheptyl)amino]ethyl]carbamate
SMILESCCCC1CCCC(NCCN(CC)C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C19H38N2O2/c1-6-9-16-10-8-11-17(13-12-16)20-14-15-21(7-2)18(22)23-19(3,4)5/h16-17,20H,6-15H2,1-5H3
InChIKeyPETOIXLVBCOISX-UHFFFAOYSA-N
XLogP4.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.52
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-ethyl-N-[2-[(4-propylcycloheptyl)amino]ethyl]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-ethyl-N-[3-[(4-propylcyclohexyl)amino]propyl]carbamate
CID 107242772
tert-butyl N-ethyl-N-[2-[(3-methylcyclohexyl)amino]ethyl]carbamate
CID 103698959
tert-butyl N-[2-[(3-aminocyclobutyl)amino]ethyl]-N-ethylcarbamate
CID 107245345
tert-butyl N-[2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)ethyl]-N-ethylcarbamate
CID 107245360
tert-butyl N-[3-[(4,4-dimethylcycloheptyl)amino]propyl]-N-ethylcarbamate
CID 107242640
tert-butyl N-[2-[(2,6-dimethyloxan-4-yl)amino]ethyl]-N-ethylcarbamate
CID 103920837
tert-butyl N-[2-(cyclobutylmethylamino)ethyl]-N-propylcarbamate
CID 107246153
tert-butyl N-[2-(oxan-4-ylamino)ethyl]-N-propylcarbamate
CID 103846759
tert-butyl N-[2-(cyclopentylmethylcarbamoylamino)ethyl]-N-ethylcarbamate
CID 51135947
tert-butyl 3-[(4-propylcyclohexyl)amino]propanoate
CID 113243263
3-[(4-propylcycloheptyl)amino]propanamide
CID 65086939
N',N'-diethyl-N-(4-propylcycloheptyl)propane-1,3-diamine
CID 65087423

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-ethyl-N-[2-[(4-propylcycloheptyl)amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-ethyl-N-[2-[(4-propylcycloheptyl)amino]ethyl]carbamate (CID 107245484) is tert-butyl N-ethyl-N-[2-[(4-propylcycloheptyl)amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-ethyl-N-[2-[(4-propylcycloheptyl)amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-ethyl-N-[2-[(4-propylcycloheptyl)amino]ethyl]carbamate is CCCC1CCCC(NCCN(CC)C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-ethyl-N-[2-[(4-propylcycloheptyl)amino]ethyl]carbamate?
The InChIKey is PETOIXLVBCOISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2O2/c1-6-9-16-10-8-11-17(13-12-16)20-14-15-21(7-2)18(22)23-19(3,4)5/h16-17,20H,6-15H2,1-5H3.
What are the key properties of tert-butyl N-ethyl-N-[2-[(4-propylcycloheptyl)amino]ethyl]carbamate?
tert-butyl N-ethyl-N-[2-[(4-propylcycloheptyl)amino]ethyl]carbamate has a molecular weight of 326.52 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-ethyl-N-[2-[(4-propylcycloheptyl)amino]ethyl]carbamate is sourced from PubChem (CID 107245484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).