tert-butyl N-[3-methyl-1-(1H-pyrrol-2-ylmethylamino)butan-2-yl]carbamate

C15H27N3O2 — CID 103578618

IUPACtert-butyl N-[3-methyl-1-(1H-pyrrol-2-ylmethylamino)butan-2-yl]carbamate
SMILESCC(C)C(CNCc1ccc[nH]1)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H27N3O2/c1-11(2)13(18-14(19)20-15(3,4)5)10-16-9-12-7-6-8-17-12/h6-8,11,13,16-17H,9-10H2,1-5H3,(H,18,19)
InChIKeyJFKZXNHDAZMJGJ-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.65
Rot. Bonds6

About tert-butyl N-[3-methyl-1-(1H-pyrrol-2-ylmethylamino)butan-2-yl]carbamate

tert-butyl N-[3-methyl-1-(1H-pyrrol-2-ylmethylamino)butan-2-yl]carbamate (PubChem CID 103578618) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is tert-butyl N-[3-methyl-1-(1H-pyrrol-2-ylmethylamino)butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-methyl-1-(1H-pyrrol-2-ylmethylamino)butan-2-yl]carbamate
PubChem CID103578618
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Nametert-butyl N-[3-methyl-1-(1H-pyrrol-2-ylmethylamino)butan-2-yl]carbamate
SMILESCC(C)C(CNCc1ccc[nH]1)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H27N3O2/c1-11(2)13(18-14(19)20-15(3,4)5)10-16-9-12-7-6-8-17-12/h6-8,11,13,16-17H,9-10H2,1-5H3,(H,18,19)
InChIKeyJFKZXNHDAZMJGJ-UHFFFAOYSA-N
XLogP2.65
TPSA66.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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methyl 2-[[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]methyl]benzoate
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tert-butyl N-[3-methyl-1-[(1-methylpyrrol-3-yl)methylamino]butan-2-yl]carbamate
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tert-butyl N-[4-[(1H-pyrrol-2-ylmethylamino)methyl]phenyl]carbamate
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tert-butyl N-[(2S,3S)-1-(benzylamino)-3-methylpentan-2-yl]carbamate
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tert-butyl N-[1-[(6-methoxy-3-pyridinyl)methylamino]-3-methylbutan-2-yl]carbamate
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tert-butyl N-[1-[(3-bromo-4-chlorophenyl)methylamino]-3-methylbutan-2-yl]carbamate
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tert-butyl N-[(2S)-1-[(2,5-dimethoxyphenyl)methylamino]-3-methylbutan-2-yl]carbamate
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tert-butyl N-[(2R)-3-methyl-1-[(2-phenylacetyl)amino]butan-2-yl]carbamate
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tert-butyl N-(3-methyl-1-phenylbutan-2-yl)carbamate
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tert-butyl N-[(2S,3S)-3-methyl-1-[(2-methylphenyl)methylamino]pentan-2-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-methyl-1-(1H-pyrrol-2-ylmethylamino)butan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[3-methyl-1-(1H-pyrrol-2-ylmethylamino)butan-2-yl]carbamate (CID 103578618) is tert-butyl N-[3-methyl-1-(1H-pyrrol-2-ylmethylamino)butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[3-methyl-1-(1H-pyrrol-2-ylmethylamino)butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[3-methyl-1-(1H-pyrrol-2-ylmethylamino)butan-2-yl]carbamate is CC(C)C(CNCc1ccc[nH]1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-methyl-1-(1H-pyrrol-2-ylmethylamino)butan-2-yl]carbamate?
The InChIKey is JFKZXNHDAZMJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-11(2)13(18-14(19)20-15(3,4)5)10-16-9-12-7-6-8-17-12/h6-8,11,13,16-17H,9-10H2,1-5H3,(H,18,19).
What are the key properties of tert-butyl N-[3-methyl-1-(1H-pyrrol-2-ylmethylamino)butan-2-yl]carbamate?
tert-butyl N-[3-methyl-1-(1H-pyrrol-2-ylmethylamino)butan-2-yl]carbamate has a molecular weight of 281.40 g/mol, XLogP of 2.65, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-methyl-1-(1H-pyrrol-2-ylmethylamino)butan-2-yl]carbamate is sourced from PubChem (CID 103578618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).