tert-butyl N-methyl-N-[2-methyl-3-[1-(1H-pyrazol-5-yl)ethylamino]propyl]carbamate

C15H28N4O2 — CID 107246587

IUPACtert-butyl N-methyl-N-[2-methyl-3-[1-(1H-pyrazol-5-yl)ethylamino]propyl]carbamate
SMILESCC(CNC(C)c1ccn[nH]1)CN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C15H28N4O2/c1-11(9-16-12(2)13-7-8-17-18-13)10-19(6)14(20)21-15(3,4)5/h7-8,11-12,16H,9-10H2,1-6H3,(H,17,18)
InChIKeyALXYLHPMQVGYNX-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.56
Rot. Bonds6

About tert-butyl N-methyl-N-[2-methyl-3-[1-(1H-pyrazol-5-yl)ethylamino]propyl]carbamate

tert-butyl N-methyl-N-[2-methyl-3-[1-(1H-pyrazol-5-yl)ethylamino]propyl]carbamate (PubChem CID 107246587) has the molecular formula C15H28N4O2 and a molecular weight of 296.41 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[2-methyl-3-[1-(1H-pyrazol-5-yl)ethylamino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[2-methyl-3-[1-(1H-pyrazol-5-yl)ethylamino]propyl]carbamate
PubChem CID107246587
Molecular FormulaC15H28N4O2
Molecular Weight296.41 g/mol
Exact Mass296.22
IUPAC Nametert-butyl N-methyl-N-[2-methyl-3-[1-(1H-pyrazol-5-yl)ethylamino]propyl]carbamate
SMILESCC(CNC(C)c1ccn[nH]1)CN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C15H28N4O2/c1-11(9-16-12(2)13-7-8-17-18-13)10-19(6)14(20)21-15(3,4)5/h7-8,11-12,16H,9-10H2,1-6H3,(H,17,18)
InChIKeyALXYLHPMQVGYNX-UHFFFAOYSA-N
XLogP2.56
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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tert-butyl N-methyl-N-[2-(1H-pyrazol-5-yl)ethyl]carbamate
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tert-butyl N-methyl-N-[2-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]propyl]carbamate
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tert-butyl N-[(2R)-3-(ethylcarbamoylamino)-2-methylpropyl]-N-methylcarbamate
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tert-butyl N-[3-[[N-ethyl-N'-(pyridin-2-ylmethyl)carbamimidoyl]amino]-2-methylpropyl]-N-methylcarbamate
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tert-butyl N-[3-[(6-methoxy-2-pyridinyl)methylamino]-2-methylpropyl]-N-methylcarbamate
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tert-butyl N-methyl-N-[2-(1-pyridin-4-ylethylamino)ethyl]carbamate
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tert-butyl N-[3-[(2-cyanophenyl)methylamino]-2-methylpropyl]-N-methylcarbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[2-methyl-3-[1-(1H-pyrazol-5-yl)ethylamino]propyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[2-methyl-3-[1-(1H-pyrazol-5-yl)ethylamino]propyl]carbamate (CID 107246587) is tert-butyl N-methyl-N-[2-methyl-3-[1-(1H-pyrazol-5-yl)ethylamino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[2-methyl-3-[1-(1H-pyrazol-5-yl)ethylamino]propyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[2-methyl-3-[1-(1H-pyrazol-5-yl)ethylamino]propyl]carbamate is CC(CNC(C)c1ccn[nH]1)CN(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-[2-methyl-3-[1-(1H-pyrazol-5-yl)ethylamino]propyl]carbamate?
The InChIKey is ALXYLHPMQVGYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-11(9-16-12(2)13-7-8-17-18-13)10-19(6)14(20)21-15(3,4)5/h7-8,11-12,16H,9-10H2,1-6H3,(H,17,18).
What are the key properties of tert-butyl N-methyl-N-[2-methyl-3-[1-(1H-pyrazol-5-yl)ethylamino]propyl]carbamate?
tert-butyl N-methyl-N-[2-methyl-3-[1-(1H-pyrazol-5-yl)ethylamino]propyl]carbamate has a molecular weight of 296.41 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[2-methyl-3-[1-(1H-pyrazol-5-yl)ethylamino]propyl]carbamate is sourced from PubChem (CID 107246587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).