tert-butyl N-cyclopropyl-N-[2-(oxan-3-ylmethylamino)ethyl]carbamate

C16H30N2O3 — CID 103921902

IUPACtert-butyl N-cyclopropyl-N-[2-(oxan-3-ylmethylamino)ethyl]carbamate
SMILESCC(C)(C)OC(=O)N(CCNCC1CCCOC1)C1CC1
InChIInChI=1S/C16H30N2O3/c1-16(2,3)21-15(19)18(14-6-7-14)9-8-17-11-13-5-4-10-20-12-13/h13-14,17H,4-12H2,1-3H3
InChIKeyJMLOTKKHZDUBBS-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.40
Rot. Bonds6

About tert-butyl N-cyclopropyl-N-[2-(oxan-3-ylmethylamino)ethyl]carbamate

tert-butyl N-cyclopropyl-N-[2-(oxan-3-ylmethylamino)ethyl]carbamate (PubChem CID 103921902) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is tert-butyl N-cyclopropyl-N-[2-(oxan-3-ylmethylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-cyclopropyl-N-[2-(oxan-3-ylmethylamino)ethyl]carbamate
PubChem CID103921902
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Nametert-butyl N-cyclopropyl-N-[2-(oxan-3-ylmethylamino)ethyl]carbamate
SMILESCC(C)(C)OC(=O)N(CCNCC1CCCOC1)C1CC1
InChIInChI=1S/C16H30N2O3/c1-16(2,3)21-15(19)18(14-6-7-14)9-8-17-11-13-5-4-10-20-12-13/h13-14,17H,4-12H2,1-3H3
InChIKeyJMLOTKKHZDUBBS-UHFFFAOYSA-N
XLogP2.40
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-cyclopropyl-N-[3-(oxan-3-ylmethylamino)propyl]carbamate
CID 103922815
tert-butyl N-cyclopropyl-N-[2-(oxepan-4-ylamino)ethyl]carbamate
CID 103894802
tert-butyl N-(oxan-3-ylmethyl)carbamate
CID 63788882
tert-butyl N-cyclopropyl-N-[2-(2-methylpropylamino)ethyl]carbamate
CID 103880529
tert-butyl N-[2-(cyclobutylmethylamino)ethyl]-N-methylcarbamate
CID 107245079
tert-butyl N-cyclopropyl-N-[3-(piperidin-4-ylmethylamino)propyl]carbamate
CID 107242902
tert-butyl N-cyclopropyl-N-[2-(2,2-dimethoxyethylamino)ethyl]carbamate
CID 107246428
N',N'-diethyl-N-[[(3R)-oxan-3-yl]methyl]ethane-1,2-diamine
CID 93449849
tert-butyl N-[2-(oxolan-3-ylmethylamino)ethyl]carbamate
CID 115607413
tert-butyl N-cyclopropyl-N-[2-(3-methylsulfanylpropylamino)ethyl]carbamate
CID 107246302
tert-butyl N-[[2-(oxan-3-ylmethylamino)cyclohexyl]methyl]carbamate
CID 103695439
tert-butyl N-[2-(cyclobutylmethylamino)ethyl]-N-propylcarbamate
CID 107246153

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-cyclopropyl-N-[2-(oxan-3-ylmethylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-cyclopropyl-N-[2-(oxan-3-ylmethylamino)ethyl]carbamate (CID 103921902) is tert-butyl N-cyclopropyl-N-[2-(oxan-3-ylmethylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-cyclopropyl-N-[2-(oxan-3-ylmethylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-cyclopropyl-N-[2-(oxan-3-ylmethylamino)ethyl]carbamate is CC(C)(C)OC(=O)N(CCNCC1CCCOC1)C1CC1.
What is the InChIKey of tert-butyl N-cyclopropyl-N-[2-(oxan-3-ylmethylamino)ethyl]carbamate?
The InChIKey is JMLOTKKHZDUBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-16(2,3)21-15(19)18(14-6-7-14)9-8-17-11-13-5-4-10-20-12-13/h13-14,17H,4-12H2,1-3H3.
What are the key properties of tert-butyl N-cyclopropyl-N-[2-(oxan-3-ylmethylamino)ethyl]carbamate?
tert-butyl N-cyclopropyl-N-[2-(oxan-3-ylmethylamino)ethyl]carbamate has a molecular weight of 298.43 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-cyclopropyl-N-[2-(oxan-3-ylmethylamino)ethyl]carbamate is sourced from PubChem (CID 103921902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).