tert-butyl N-[2-cyclopropyl-2-(1H-imidazol-5-ylmethylamino)propyl]carbamate

C15H26N4O2 — CID 103740239

IUPACtert-butyl N-[2-cyclopropyl-2-(1H-imidazol-5-ylmethylamino)propyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(C)(NCc1cnc[nH]1)C1CC1
InChIInChI=1S/C15H26N4O2/c1-14(2,3)21-13(20)17-9-15(4,11-5-6-11)19-8-12-7-16-10-18-12/h7,10-11,19H,5-6,8-9H2,1-4H3,(H,16,18)(H,17,20)
InChIKeyWEGOYOFQISRWMB-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.19
Rot. Bonds6

About tert-butyl N-[2-cyclopropyl-2-(1H-imidazol-5-ylmethylamino)propyl]carbamate

tert-butyl N-[2-cyclopropyl-2-(1H-imidazol-5-ylmethylamino)propyl]carbamate (PubChem CID 103740239) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is tert-butyl N-[2-cyclopropyl-2-(1H-imidazol-5-ylmethylamino)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-cyclopropyl-2-(1H-imidazol-5-ylmethylamino)propyl]carbamate
PubChem CID103740239
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Nametert-butyl N-[2-cyclopropyl-2-(1H-imidazol-5-ylmethylamino)propyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(C)(NCc1cnc[nH]1)C1CC1
InChIInChI=1S/C15H26N4O2/c1-14(2,3)21-13(20)17-9-15(4,11-5-6-11)19-8-12-7-16-10-18-12/h7,10-11,19H,5-6,8-9H2,1-4H3,(H,16,18)(H,17,20)
InChIKeyWEGOYOFQISRWMB-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-cyclopropyl-2-(1H-pyrazol-5-ylmethylamino)propyl]carbamate
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CID 103790492
tert-butyl N-[(2S)-2-cyclopropyl-2-[(1-methylpyrazol-4-yl)methylamino]propyl]carbamate
CID 124509244
tert-butyl N-[2-cyclopropyl-2-[(5-methyl-2-pyridinyl)methylamino]propyl]carbamate
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tert-butyl N-[2-cyclopropyl-2-(pyrimidin-4-ylmethylamino)propyl]carbamate
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tert-butyl N-[2-cyclopropyl-2-(3,3-dimethylbutylamino)propyl]carbamate
CID 103790504
tert-butyl N-[2-cyclopropyl-2-[[2-oxo-2-(pyrazin-2-ylamino)ethyl]amino]propyl]carbamate
CID 154762882
tert-butyl N-[2-(butylamino)-2-cyclopropylpropyl]carbamate
CID 103761015
tert-butyl N-[2-[(3-bromophenyl)methylamino]-2-cyclopropylpropyl]carbamate
CID 107252087
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-[(2-nitrophenyl)methylamino]propyl]carbamate
CID 113256670

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-cyclopropyl-2-(1H-imidazol-5-ylmethylamino)propyl]carbamate?
The IUPAC name of tert-butyl N-[2-cyclopropyl-2-(1H-imidazol-5-ylmethylamino)propyl]carbamate (CID 103740239) is tert-butyl N-[2-cyclopropyl-2-(1H-imidazol-5-ylmethylamino)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-cyclopropyl-2-(1H-imidazol-5-ylmethylamino)propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-cyclopropyl-2-(1H-imidazol-5-ylmethylamino)propyl]carbamate is CC(C)(C)OC(=O)NCC(C)(NCc1cnc[nH]1)C1CC1.
What is the InChIKey of tert-butyl N-[2-cyclopropyl-2-(1H-imidazol-5-ylmethylamino)propyl]carbamate?
The InChIKey is WEGOYOFQISRWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-14(2,3)21-13(20)17-9-15(4,11-5-6-11)19-8-12-7-16-10-18-12/h7,10-11,19H,5-6,8-9H2,1-4H3,(H,16,18)(H,17,20).
What are the key properties of tert-butyl N-[2-cyclopropyl-2-(1H-imidazol-5-ylmethylamino)propyl]carbamate?
tert-butyl N-[2-cyclopropyl-2-(1H-imidazol-5-ylmethylamino)propyl]carbamate has a molecular weight of 294.40 g/mol, XLogP of 2.19, 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-(1H-imidazol-5-ylmethylamino)propyl]carbamate is sourced from PubChem (CID 103740239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).