tert-butyl N-[2-cyclopropyl-2-[(5-methyl-1H-imidazol-4-yl)methylamino]ethyl]carbamate

C15H26N4O2 — CID 107251827

IUPACtert-butyl N-[2-cyclopropyl-2-[(5-methyl-1H-imidazol-4-yl)methylamino]ethyl]carbamate
SMILESCc1[nH]cnc1CNC(CNC(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C15H26N4O2/c1-10-12(19-9-18-10)7-16-13(11-5-6-11)8-17-14(20)21-15(2,3)4/h9,11,13,16H,5-8H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyHOUNYLKKTXUEKJ-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.11
Rot. Bonds6

About tert-butyl N-[2-cyclopropyl-2-[(5-methyl-1H-imidazol-4-yl)methylamino]ethyl]carbamate

tert-butyl N-[2-cyclopropyl-2-[(5-methyl-1H-imidazol-4-yl)methylamino]ethyl]carbamate (PubChem CID 107251827) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is tert-butyl N-[2-cyclopropyl-2-[(5-methyl-1H-imidazol-4-yl)methylamino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-cyclopropyl-2-[(5-methyl-1H-imidazol-4-yl)methylamino]ethyl]carbamate
PubChem CID107251827
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Nametert-butyl N-[2-cyclopropyl-2-[(5-methyl-1H-imidazol-4-yl)methylamino]ethyl]carbamate
SMILESCc1[nH]cnc1CNC(CNC(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C15H26N4O2/c1-10-12(19-9-18-10)7-16-13(11-5-6-11)8-17-14(20)21-15(2,3)4/h9,11,13,16H,5-8H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyHOUNYLKKTXUEKJ-UHFFFAOYSA-N
XLogP2.11
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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tert-butyl N-[2-cyclopentyl-2-(pyrimidin-5-ylmethylamino)ethyl]carbamate
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tert-butyl N-[2-cyclopentyl-2-(pyrimidin-4-ylmethylamino)ethyl]carbamate
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tert-butyl N-[2-cyclopropyl-2-(methylamino)ethyl]carbamate
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tert-butyl N-[(2R)-2-cyclopropyl-2-(methylamino)ethyl]carbamate
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tert-butyl N-[2-cyclopentyl-2-[(3-methylfuran-2-yl)methylamino]ethyl]carbamate
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tert-butyl N-[2-cyclopropyl-2-[(5-fluoro-2-hydroxyphenyl)methylamino]ethyl]carbamate
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tert-butyl N-[2-cyclopropyl-2-[(1-ethenylpyrazol-4-yl)methylamino]ethyl]carbamate
CID 107094759

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-cyclopropyl-2-[(5-methyl-1H-imidazol-4-yl)methylamino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-cyclopropyl-2-[(5-methyl-1H-imidazol-4-yl)methylamino]ethyl]carbamate (CID 107251827) is tert-butyl N-[2-cyclopropyl-2-[(5-methyl-1H-imidazol-4-yl)methylamino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-cyclopropyl-2-[(5-methyl-1H-imidazol-4-yl)methylamino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-cyclopropyl-2-[(5-methyl-1H-imidazol-4-yl)methylamino]ethyl]carbamate is Cc1[nH]cnc1CNC(CNC(=O)OC(C)(C)C)C1CC1.
What is the InChIKey of tert-butyl N-[2-cyclopropyl-2-[(5-methyl-1H-imidazol-4-yl)methylamino]ethyl]carbamate?
The InChIKey is HOUNYLKKTXUEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-10-12(19-9-18-10)7-16-13(11-5-6-11)8-17-14(20)21-15(2,3)4/h9,11,13,16H,5-8H2,1-4H3,(H,17,20)(H,18,19).
What are the key properties of tert-butyl N-[2-cyclopropyl-2-[(5-methyl-1H-imidazol-4-yl)methylamino]ethyl]carbamate?
tert-butyl N-[2-cyclopropyl-2-[(5-methyl-1H-imidazol-4-yl)methylamino]ethyl]carbamate has a molecular weight of 294.40 g/mol, XLogP of 2.11, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-cyclopropyl-2-[(5-methyl-1H-imidazol-4-yl)methylamino]ethyl]carbamate is sourced from PubChem (CID 107251827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).