tert-butyl N-[2-cyclopropyl-2-(3,3-dimethylbutylamino)propyl]carbamate

C17H34N2O2 — CID 103790504

IUPACtert-butyl N-[2-cyclopropyl-2-(3,3-dimethylbutylamino)propyl]carbamate
SMILESCC(C)(C)CCNC(C)(CNC(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C17H34N2O2/c1-15(2,3)10-11-19-17(7,13-8-9-13)12-18-14(20)21-16(4,5)6/h13,19H,8-12H2,1-7H3,(H,18,20)
InChIKeyIKAGZRGPUVWSSA-UHFFFAOYSA-N
MW298.47 g/mol
LogP3.71
Rot. Bonds6

About tert-butyl N-[2-cyclopropyl-2-(3,3-dimethylbutylamino)propyl]carbamate

tert-butyl N-[2-cyclopropyl-2-(3,3-dimethylbutylamino)propyl]carbamate (PubChem CID 103790504) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is tert-butyl N-[2-cyclopropyl-2-(3,3-dimethylbutylamino)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-cyclopropyl-2-(3,3-dimethylbutylamino)propyl]carbamate
PubChem CID103790504
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Nametert-butyl N-[2-cyclopropyl-2-(3,3-dimethylbutylamino)propyl]carbamate
SMILESCC(C)(C)CCNC(C)(CNC(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C17H34N2O2/c1-15(2,3)10-11-19-17(7,13-8-9-13)12-18-14(20)21-16(4,5)6/h13,19H,8-12H2,1-7H3,(H,18,20)
InChIKeyIKAGZRGPUVWSSA-UHFFFAOYSA-N
XLogP3.71
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-cyclopropyl-2-(ethylamino)propyl]carbamate
CID 103790492
tert-butyl N-[2-(butylamino)-2-cyclopropylpropyl]carbamate
CID 103761015
tert-butyl N-[2-cyclopropyl-2-(pentylamino)propyl]carbamate
CID 103790497
tert-butyl N-[2-(3-aminopropylamino)-2-cyclopropylpropyl]carbamate
CID 107252066
tert-butyl N-[2-cyclopropyl-2-(heptylamino)propyl]carbamate
CID 107252058
tert-butyl N-[2-(azetidin-3-ylamino)-2-cyclopropylpropyl]carbamate
CID 107252054
tert-butyl N-[2-cyclopropyl-2-(1H-imidazol-5-ylmethylamino)propyl]carbamate
CID 103740239
tert-butyl N-[(2S)-2-cyclopropyl-2-[(1-methylpyrazol-4-yl)methylamino]propyl]carbamate
CID 124509244
tert-butyl N-[2-cyclopropyl-2-(1H-pyrazol-5-ylmethylamino)propyl]carbamate
CID 103740233
tert-butyl N-[2-cyclopropyl-2-[1-(1-methylcyclopropyl)ethylamino]propyl]carbamate
CID 107252063
tert-butyl N-[2-cyclopropyl-2-[(5-methyl-2-pyridinyl)methylamino]propyl]carbamate
CID 103768694
tert-butyl N-[2-cyclopropyl-2-(pyrimidin-4-ylmethylamino)propyl]carbamate
CID 107252088

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-cyclopropyl-2-(3,3-dimethylbutylamino)propyl]carbamate?
The IUPAC name of tert-butyl N-[2-cyclopropyl-2-(3,3-dimethylbutylamino)propyl]carbamate (CID 103790504) is tert-butyl N-[2-cyclopropyl-2-(3,3-dimethylbutylamino)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-cyclopropyl-2-(3,3-dimethylbutylamino)propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-cyclopropyl-2-(3,3-dimethylbutylamino)propyl]carbamate is CC(C)(C)CCNC(C)(CNC(=O)OC(C)(C)C)C1CC1.
What is the InChIKey of tert-butyl N-[2-cyclopropyl-2-(3,3-dimethylbutylamino)propyl]carbamate?
The InChIKey is IKAGZRGPUVWSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-15(2,3)10-11-19-17(7,13-8-9-13)12-18-14(20)21-16(4,5)6/h13,19H,8-12H2,1-7H3,(H,18,20).
What are the key properties of tert-butyl N-[2-cyclopropyl-2-(3,3-dimethylbutylamino)propyl]carbamate?
tert-butyl N-[2-cyclopropyl-2-(3,3-dimethylbutylamino)propyl]carbamate has a molecular weight of 298.47 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-cyclopropyl-2-(3,3-dimethylbutylamino)propyl]carbamate is sourced from PubChem (CID 103790504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).