tert-butyl N-[2-methyl-1-[(2-methyl-1H-imidazol-5-yl)methylamino]propan-2-yl]carbamate

C14H26N4O2 — CID 103740257

IUPACtert-butyl N-[2-methyl-1-[(2-methyl-1H-imidazol-5-yl)methylamino]propan-2-yl]carbamate
SMILESCc1ncc(CNCC(C)(C)NC(=O)OC(C)(C)C)[nH]1
InChIInChI=1S/C14H26N4O2/c1-10-16-8-11(17-10)7-15-9-14(5,6)18-12(19)20-13(2,3)4/h8,15H,7,9H2,1-6H3,(H,16,17)(H,18,19)
InChIKeyCLRSTPVXWMMLER-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.11
Rot. Bonds5

About tert-butyl N-[2-methyl-1-[(2-methyl-1H-imidazol-5-yl)methylamino]propan-2-yl]carbamate

tert-butyl N-[2-methyl-1-[(2-methyl-1H-imidazol-5-yl)methylamino]propan-2-yl]carbamate (PubChem CID 103740257) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is tert-butyl N-[2-methyl-1-[(2-methyl-1H-imidazol-5-yl)methylamino]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-methyl-1-[(2-methyl-1H-imidazol-5-yl)methylamino]propan-2-yl]carbamate
PubChem CID103740257
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Nametert-butyl N-[2-methyl-1-[(2-methyl-1H-imidazol-5-yl)methylamino]propan-2-yl]carbamate
SMILESCc1ncc(CNCC(C)(C)NC(=O)OC(C)(C)C)[nH]1
InChIInChI=1S/C14H26N4O2/c1-10-16-8-11(17-10)7-15-9-14(5,6)18-12(19)20-13(2,3)4/h8,15H,7,9H2,1-6H3,(H,16,17)(H,18,19)
InChIKeyCLRSTPVXWMMLER-UHFFFAOYSA-N
XLogP2.11
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[4-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]phenyl]carbamate
CID 107239619
tert-butyl N-[2-[4-[(2-methyl-1H-imidazol-5-yl)methylamino]phenoxy]ethyl]carbamate
CID 113415120
potassium tert-butyl N-[(2-methyl-1H-imidazol-5-yl)methyl]carbamate
CID 156683626
tert-butyl N-[2-methyl-1-(1,3-oxazol-5-ylmethylamino)propan-2-yl]carbamate
CID 107250071
tert-butyl N-[2-[(2-methyl-1H-imidazol-5-yl)methylamino]hexyl]carbamate
CID 103753203
2-[(2-methyl-1H-imidazol-5-yl)methylamino]acetamide
CID 62743615
tert-butyl N-[1-[(2-aminophenyl)methylamino]-2-methylpropan-2-yl]carbamate
CID 107249937
4-[[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]methyl]benzoic acid
CID 107249964
tert-butyl N-[1-[(6-methoxy-2-pyridinyl)methylamino]-2-methylpropan-2-yl]carbamate
CID 104624594
tert-butyl N-[2-methyl-1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propan-2-yl]carbamate
CID 107249875
methyl 4-[(2-methyl-1H-imidazol-5-yl)methylamino]butanoate
CID 62743472
2-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]butan-2-amine
CID 62741392

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-methyl-1-[(2-methyl-1H-imidazol-5-yl)methylamino]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[2-methyl-1-[(2-methyl-1H-imidazol-5-yl)methylamino]propan-2-yl]carbamate (CID 103740257) is tert-butyl N-[2-methyl-1-[(2-methyl-1H-imidazol-5-yl)methylamino]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-methyl-1-[(2-methyl-1H-imidazol-5-yl)methylamino]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-methyl-1-[(2-methyl-1H-imidazol-5-yl)methylamino]propan-2-yl]carbamate is Cc1ncc(CNCC(C)(C)NC(=O)OC(C)(C)C)[nH]1.
What is the InChIKey of tert-butyl N-[2-methyl-1-[(2-methyl-1H-imidazol-5-yl)methylamino]propan-2-yl]carbamate?
The InChIKey is CLRSTPVXWMMLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-10-16-8-11(17-10)7-15-9-14(5,6)18-12(19)20-13(2,3)4/h8,15H,7,9H2,1-6H3,(H,16,17)(H,18,19).
What are the key properties of tert-butyl N-[2-methyl-1-[(2-methyl-1H-imidazol-5-yl)methylamino]propan-2-yl]carbamate?
tert-butyl N-[2-methyl-1-[(2-methyl-1H-imidazol-5-yl)methylamino]propan-2-yl]carbamate has a molecular weight of 282.39 g/mol, XLogP of 2.11, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-methyl-1-[(2-methyl-1H-imidazol-5-yl)methylamino]propan-2-yl]carbamate is sourced from PubChem (CID 103740257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).