tert-butyl N-ethyl-N-[3-[(4-propylcyclohexyl)amino]propyl]carbamate

C19H38N2O2 — CID 107242772

IUPACtert-butyl N-ethyl-N-[3-[(4-propylcyclohexyl)amino]propyl]carbamate
SMILESCCCC1CCC(NCCCN(CC)C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C19H38N2O2/c1-6-9-16-10-12-17(13-11-16)20-14-8-15-21(7-2)18(22)23-19(3,4)5/h16-17,20H,6-15H2,1-5H3
InChIKeyNOWMWQVDCUWQKB-UHFFFAOYSA-N
MW326.52 g/mol
LogP4.58
Rot. Bonds8

About tert-butyl N-ethyl-N-[3-[(4-propylcyclohexyl)amino]propyl]carbamate

tert-butyl N-ethyl-N-[3-[(4-propylcyclohexyl)amino]propyl]carbamate (PubChem CID 107242772) has the molecular formula C19H38N2O2 and a molecular weight of 326.52 g/mol. Its IUPAC name is tert-butyl N-ethyl-N-[3-[(4-propylcyclohexyl)amino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-ethyl-N-[3-[(4-propylcyclohexyl)amino]propyl]carbamate
PubChem CID107242772
Molecular FormulaC19H38N2O2
Molecular Weight326.52 g/mol
Exact Mass326.29
IUPAC Nametert-butyl N-ethyl-N-[3-[(4-propylcyclohexyl)amino]propyl]carbamate
SMILESCCCC1CCC(NCCCN(CC)C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C19H38N2O2/c1-6-9-16-10-12-17(13-11-16)20-14-8-15-21(7-2)18(22)23-19(3,4)5/h16-17,20H,6-15H2,1-5H3
InChIKeyNOWMWQVDCUWQKB-UHFFFAOYSA-N
XLogP4.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-ethyl-N-[2-[(4-propylcycloheptyl)amino]ethyl]carbamate
CID 107245484
tert-butyl N-[3-[(4,4-dimethylcycloheptyl)amino]propyl]-N-ethylcarbamate
CID 107242640
tert-butyl N-ethyl-N-[3-[(2-methylcyclohexyl)amino]propyl]carbamate
CID 107242659
tert-butyl 3-[(4-propylcyclohexyl)amino]propanoate
CID 113243263
tert-butyl N-[2-[(3-aminocyclobutyl)amino]ethyl]-N-ethylcarbamate
CID 107245345
tert-butyl N-methyl-N-[3-[(4-methylcyclohexyl)amino]propyl]carbamate
CID 103699070
tert-butyl N-ethyl-N-[3-[(2-methylthiolan-3-yl)amino]propyl]carbamate
CID 102672059
tert-butyl N-[2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)ethyl]-N-ethylcarbamate
CID 107245360
ethyl 4-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propylamino]cyclohexane-1-carboxylate
CID 113352339
tert-butyl N-[2-[(2,6-dimethyloxan-4-yl)amino]ethyl]-N-ethylcarbamate
CID 103920837
tert-butyl N-ethyl-N-(4-hydroxybutyl)carbamate
CID 87693866
tert-butyl N-ethyl-N-[2-[(3-methylcyclohexyl)amino]ethyl]carbamate
CID 103698959

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-ethyl-N-[3-[(4-propylcyclohexyl)amino]propyl]carbamate?
The IUPAC name of tert-butyl N-ethyl-N-[3-[(4-propylcyclohexyl)amino]propyl]carbamate (CID 107242772) is tert-butyl N-ethyl-N-[3-[(4-propylcyclohexyl)amino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-ethyl-N-[3-[(4-propylcyclohexyl)amino]propyl]carbamate?
The canonical SMILES for tert-butyl N-ethyl-N-[3-[(4-propylcyclohexyl)amino]propyl]carbamate is CCCC1CCC(NCCCN(CC)C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-ethyl-N-[3-[(4-propylcyclohexyl)amino]propyl]carbamate?
The InChIKey is NOWMWQVDCUWQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2O2/c1-6-9-16-10-12-17(13-11-16)20-14-8-15-21(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-[3-[(4-propylcyclohexyl)amino]propyl]carbamate?
tert-butyl N-ethyl-N-[3-[(4-propylcyclohexyl)amino]propyl]carbamate has a molecular weight of 326.52 g/mol, XLogP of 4.58, 8 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-[3-[(4-propylcyclohexyl)amino]propyl]carbamate is sourced from PubChem (CID 107242772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).