tert-butyl N-cyclopropyl-N-[2-(oxepan-4-ylamino)ethyl]carbamate

C16H30N2O3 — CID 103894802

IUPACtert-butyl N-cyclopropyl-N-[2-(oxepan-4-ylamino)ethyl]carbamate
SMILESCC(C)(C)OC(=O)N(CCNC1CCCOCC1)C1CC1
InChIInChI=1S/C16H30N2O3/c1-16(2,3)21-15(19)18(14-6-7-14)10-9-17-13-5-4-11-20-12-8-13/h13-14,17H,4-12H2,1-3H3
InChIKeyDGSIWMMEGIQDNJ-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.54
Rot. Bonds5

About tert-butyl N-cyclopropyl-N-[2-(oxepan-4-ylamino)ethyl]carbamate

tert-butyl N-cyclopropyl-N-[2-(oxepan-4-ylamino)ethyl]carbamate (PubChem CID 103894802) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is tert-butyl N-cyclopropyl-N-[2-(oxepan-4-ylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-cyclopropyl-N-[2-(oxepan-4-ylamino)ethyl]carbamate
PubChem CID103894802
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Nametert-butyl N-cyclopropyl-N-[2-(oxepan-4-ylamino)ethyl]carbamate
SMILESCC(C)(C)OC(=O)N(CCNC1CCCOCC1)C1CC1
InChIInChI=1S/C16H30N2O3/c1-16(2,3)21-15(19)18(14-6-7-14)10-9-17-13-5-4-11-20-12-8-13/h13-14,17H,4-12H2,1-3H3
InChIKeyDGSIWMMEGIQDNJ-UHFFFAOYSA-N
XLogP2.54
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-cyclopropyl-N-[2-[(2-ethyloxan-4-yl)amino]ethyl]carbamate
CID 107246501
tert-butyl N-[2-(oxan-4-ylamino)ethyl]-N-propylcarbamate
CID 103846759
tert-butyl N-cyclopropyl-N-[2-(oxan-3-ylmethylamino)ethyl]carbamate
CID 103921902
tert-butyl N-cyclopropyl-N-[2-[(3-methoxycyclobutyl)amino]ethyl]carbamate
CID 104871326
tert-butyl N-(2-aminoethyl)-N-(oxan-4-yl)carbamate
CID 50986378
tert-butyl N-cyclopropyl-N-[3-(oxan-3-ylmethylamino)propyl]carbamate
CID 103922815
tert-butyl N-[2-(oxan-4-ylamino)ethyl]carbamate
CID 58117128
tert-butyl N-cyclopropyl-N-[3-[(4-methoxycyclohexyl)amino]propyl]carbamate
CID 104530154
tert-butyl N-cyclopropyl-N-[3-(thian-3-ylamino)propyl]carbamate
CID 103885582
tert-butyl N-[2-(1-cyclopentylethylamino)ethyl]-N-cyclopropylcarbamate
CID 107246341
tert-butyl N-cyclopropyl-N-[2-[(2-methylthian-3-yl)amino]ethyl]carbamate
CID 107246381
tert-butyl N-(2-methylprop-2-enyl)-N-(oxan-4-yl)carbamate
CID 177317159

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-cyclopropyl-N-[2-(oxepan-4-ylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-cyclopropyl-N-[2-(oxepan-4-ylamino)ethyl]carbamate (CID 103894802) is tert-butyl N-cyclopropyl-N-[2-(oxepan-4-ylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-cyclopropyl-N-[2-(oxepan-4-ylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-cyclopropyl-N-[2-(oxepan-4-ylamino)ethyl]carbamate is CC(C)(C)OC(=O)N(CCNC1CCCOCC1)C1CC1.
What is the InChIKey of tert-butyl N-cyclopropyl-N-[2-(oxepan-4-ylamino)ethyl]carbamate?
The InChIKey is DGSIWMMEGIQDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-16(2,3)21-15(19)18(14-6-7-14)10-9-17-13-5-4-11-20-12-8-13/h13-14,17H,4-12H2,1-3H3.
What are the key properties of tert-butyl N-cyclopropyl-N-[2-(oxepan-4-ylamino)ethyl]carbamate?
tert-butyl N-cyclopropyl-N-[2-(oxepan-4-ylamino)ethyl]carbamate has a molecular weight of 298.43 g/mol, XLogP of 2.54, 5 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-(oxepan-4-ylamino)ethyl]carbamate is sourced from PubChem (CID 103894802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).