tert-butyl N-cyclopropyl-N-[2-(2-methylpropylamino)ethyl]carbamate

C14H28N2O2 — CID 103880529

IUPACtert-butyl N-cyclopropyl-N-[2-(2-methylpropylamino)ethyl]carbamate
SMILESCC(C)CNCCN(C(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C14H28N2O2/c1-11(2)10-15-8-9-16(12-6-7-12)13(17)18-14(3,4)5/h11-12,15H,6-10H2,1-5H3
InChIKeyCXIVMKVCWOLGSO-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.63
Rot. Bonds6

About tert-butyl N-cyclopropyl-N-[2-(2-methylpropylamino)ethyl]carbamate

tert-butyl N-cyclopropyl-N-[2-(2-methylpropylamino)ethyl]carbamate (PubChem CID 103880529) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is tert-butyl N-cyclopropyl-N-[2-(2-methylpropylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-cyclopropyl-N-[2-(2-methylpropylamino)ethyl]carbamate
PubChem CID103880529
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Nametert-butyl N-cyclopropyl-N-[2-(2-methylpropylamino)ethyl]carbamate
SMILESCC(C)CNCCN(C(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C14H28N2O2/c1-11(2)10-15-8-9-16(12-6-7-12)13(17)18-14(3,4)5/h11-12,15H,6-10H2,1-5H3
InChIKeyCXIVMKVCWOLGSO-UHFFFAOYSA-N
XLogP2.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.63
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-cyclopropyl-N-[2-(2,2-dimethoxyethylamino)ethyl]carbamate
CID 107246428
methyl 2-[2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethylamino]propanoate
CID 103711065
tert-butyl N-cyclopropyl-N-[2-(3-methylsulfanylpropylamino)ethyl]carbamate
CID 107246302
tert-butyl N-[2-(1-cyclopentylethylamino)ethyl]-N-cyclopropylcarbamate
CID 107246341
tert-butyl N-cyclopropyl-N-[2-(1-cyclopropylpropan-2-ylamino)ethyl]carbamate
CID 103780880
tert-butyl N-cyclopropyl-N-[2-[[N'-methyl-N-(3-methylbutan-2-yl)carbamimidoyl]amino]ethyl]carbamate
CID 111002179
tert-butyl N-cyclopropyl-N-[3-(prop-2-ynylamino)propyl]carbamate
CID 107242920
2-[4-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]cyclohexyl]acetic acid
CID 90205224
tert-butyl N-cyclopropyl-N-[2-[1-(1-methylpiperidin-4-yl)ethylamino]ethyl]carbamate
CID 103780903
tert-butyl N-cyclopropyl-N-[3-(1-ethoxypropan-2-ylamino)propyl]carbamate
CID 103781366
tert-butyl N-cyclopropyl-N-[2-(oxan-3-ylmethylamino)ethyl]carbamate
CID 103921902
tert-butyl N-butyl-N-cyclopropylcarbamate
CID 63788161

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-cyclopropyl-N-[2-(2-methylpropylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-cyclopropyl-N-[2-(2-methylpropylamino)ethyl]carbamate (CID 103880529) is tert-butyl N-cyclopropyl-N-[2-(2-methylpropylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-cyclopropyl-N-[2-(2-methylpropylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-cyclopropyl-N-[2-(2-methylpropylamino)ethyl]carbamate is CC(C)CNCCN(C(=O)OC(C)(C)C)C1CC1.
What is the InChIKey of tert-butyl N-cyclopropyl-N-[2-(2-methylpropylamino)ethyl]carbamate?
The InChIKey is CXIVMKVCWOLGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-11(2)10-15-8-9-16(12-6-7-12)13(17)18-14(3,4)5/h11-12,15H,6-10H2,1-5H3.
What are the key properties of tert-butyl N-cyclopropyl-N-[2-(2-methylpropylamino)ethyl]carbamate?
tert-butyl N-cyclopropyl-N-[2-(2-methylpropylamino)ethyl]carbamate has a molecular weight of 256.39 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-cyclopropyl-N-[2-(2-methylpropylamino)ethyl]carbamate is sourced from PubChem (CID 103880529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).