tert-butyl N-[2-cyclopropyl-2-[1-(1-methylcyclopropyl)ethylamino]propyl]carbamate

C17H32N2O2 — CID 107252063

IUPACtert-butyl N-[2-cyclopropyl-2-[1-(1-methylcyclopropyl)ethylamino]propyl]carbamate
SMILESCC(NC(C)(CNC(=O)OC(C)(C)C)C1CC1)C1(C)CC1
InChIInChI=1S/C17H32N2O2/c1-12(16(5)9-10-16)19-17(6,13-7-8-13)11-18-14(20)21-15(2,3)4/h12-13,19H,7-11H2,1-6H3,(H,18,20)
InChIKeyMEWJYLLBACFRIH-UHFFFAOYSA-N
MW296.45 g/mol
LogP3.46
Rot. Bonds6

About tert-butyl N-[2-cyclopropyl-2-[1-(1-methylcyclopropyl)ethylamino]propyl]carbamate

tert-butyl N-[2-cyclopropyl-2-[1-(1-methylcyclopropyl)ethylamino]propyl]carbamate (PubChem CID 107252063) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is tert-butyl N-[2-cyclopropyl-2-[1-(1-methylcyclopropyl)ethylamino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-cyclopropyl-2-[1-(1-methylcyclopropyl)ethylamino]propyl]carbamate
PubChem CID107252063
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Nametert-butyl N-[2-cyclopropyl-2-[1-(1-methylcyclopropyl)ethylamino]propyl]carbamate
SMILESCC(NC(C)(CNC(=O)OC(C)(C)C)C1CC1)C1(C)CC1
InChIInChI=1S/C17H32N2O2/c1-12(16(5)9-10-16)19-17(6,13-7-8-13)11-18-14(20)21-15(2,3)4/h12-13,19H,7-11H2,1-6H3,(H,18,20)
InChIKeyMEWJYLLBACFRIH-UHFFFAOYSA-N
XLogP3.46
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 53.46
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-cyclopropyl-2-(3,3-dimethylbutylamino)propyl]carbamate
CID 103790504
tert-butyl N-[2-(butylamino)-2-cyclopropylpropyl]carbamate
CID 103761015
tert-butyl N-[2-(azetidin-3-ylamino)-2-cyclopropylpropyl]carbamate
CID 107252054
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
2-cyclopropyl-4-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pentanoic acid
CID 106489825
tert-butyl N-[2-hydroxy-2-(1-methylcyclopropyl)propyl]carbamate
CID 167734232
tert-butyl 4-[1-(1-methylcyclopropyl)ethylamino]piperidine-1-carboxylate
CID 103729502
tert-butyl N-[(2R)-2-cyclopropyl-2-[(2-methyl-1,3-thiazole-5-carbonyl)amino]propyl]carbamate
CID 95329318
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-[1-(1-methylcyclopropyl)ethylamino]propyl]carbamate?
The IUPAC name of tert-butyl N-[2-cyclopropyl-2-[1-(1-methylcyclopropyl)ethylamino]propyl]carbamate (CID 107252063) is tert-butyl N-[2-cyclopropyl-2-[1-(1-methylcyclopropyl)ethylamino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-cyclopropyl-2-[1-(1-methylcyclopropyl)ethylamino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-cyclopropyl-2-[1-(1-methylcyclopropyl)ethylamino]propyl]carbamate is CC(NC(C)(CNC(=O)OC(C)(C)C)C1CC1)C1(C)CC1.
What is the InChIKey of tert-butyl N-[2-cyclopropyl-2-[1-(1-methylcyclopropyl)ethylamino]propyl]carbamate?
The InChIKey is MEWJYLLBACFRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-12(16(5)9-10-16)19-17(6,13-7-8-13)11-18-14(20)21-15(2,3)4/h12-13,19H,7-11H2,1-6H3,(H,18,20).
What are the key properties of tert-butyl N-[2-cyclopropyl-2-[1-(1-methylcyclopropyl)ethylamino]propyl]carbamate?
tert-butyl N-[2-cyclopropyl-2-[1-(1-methylcyclopropyl)ethylamino]propyl]carbamate has a molecular weight of 296.45 g/mol, XLogP of 3.46, 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-[1-(1-methylcyclopropyl)ethylamino]propyl]carbamate is sourced from PubChem (CID 107252063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).