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

C10H18N4O2 — CID 69237733

IUPACtert-butyl N-[[5-(aminomethyl)-1H-imidazol-2-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ncc(CN)[nH]1
InChIInChI=1S/C10H18N4O2/c1-10(2,3)16-9(15)13-6-8-12-5-7(4-11)14-8/h5H,4,6,11H2,1-3H3,(H,12,14)(H,13,15)
InChIKeyYIYAMBHFZPJINI-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.89
Rot. Bonds3

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

tert-butyl N-[[5-(aminomethyl)-1H-imidazol-2-yl]methyl]carbamate (PubChem CID 69237733) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is tert-butyl N-[[5-(aminomethyl)-1H-imidazol-2-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[5-(aminomethyl)-1H-imidazol-2-yl]methyl]carbamate
PubChem CID69237733
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Nametert-butyl N-[[5-(aminomethyl)-1H-imidazol-2-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ncc(CN)[nH]1
InChIInChI=1S/C10H18N4O2/c1-10(2,3)16-9(15)13-6-8-12-5-7(4-11)14-8/h5H,4,6,11H2,1-3H3,(H,12,14)(H,13,15)
InChIKeyYIYAMBHFZPJINI-UHFFFAOYSA-N
XLogP0.89
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(2-(2-amino-1H-imidazol-5-yl)ethyl)carbamate
CID 573085
1,1-Dimethylethyl N-(3-((2-(1H-imidazol-5-yl)ethyl)amino)-3-oxopropyl)carbamate
CID 10588966
tert-butyl N-[(1H-imidazol-4-yl)methyl]carbamate
CID 57321556
tert-Butyl 4-(4-methyl-1H-imidazol-2-yl)piperidine-1-carboxylate
CID 67434961
tert-butyl N-[2-(1H-imidazol-5-yl)ethyl]carbamate
CID 402562
(5R)-9-[(2-butyl-1H-imidazol-5-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95869327
methyl N-[(2S)-1-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]-1-oxopropan-2-yl]carbamate
CID 100033455
N'-(2-ethoxy-1,1-dimethylethyl)-N-methyl-N-[(4-methyl-1H-imidazol-2-yl)methyl]urea
CID 122559961
ethyl 4-[[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]amino]piperidine-1-carboxylate
CID 125518090
Histamine, 2-trifluoromethyl-N-t-butyloxycarbonyl-
CID 546504
N-[(2-ethyl-1H-imidazol-4-yl)methyl]-2,2,2-trifluoroacetamide
CID 57034232
[1-(4-Trifluoromethyl-1H-imidazol-2-yl)-cyclopropyl]-carbamic acid tert-butyl ester
CID 67389842

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[5-(aminomethyl)-1H-imidazol-2-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[5-(aminomethyl)-1H-imidazol-2-yl]methyl]carbamate (CID 69237733) is tert-butyl N-[[5-(aminomethyl)-1H-imidazol-2-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[5-(aminomethyl)-1H-imidazol-2-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[5-(aminomethyl)-1H-imidazol-2-yl]methyl]carbamate is CC(C)(C)OC(=O)NCc1ncc(CN)[nH]1.
What is the InChIKey of tert-butyl N-[[5-(aminomethyl)-1H-imidazol-2-yl]methyl]carbamate?
The InChIKey is YIYAMBHFZPJINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-10(2,3)16-9(15)13-6-8-12-5-7(4-11)14-8/h5H,4,6,11H2,1-3H3,(H,12,14)(H,13,15).
What are the key properties of tert-butyl N-[[5-(aminomethyl)-1H-imidazol-2-yl]methyl]carbamate?
tert-butyl N-[[5-(aminomethyl)-1H-imidazol-2-yl]methyl]carbamate has a molecular weight of 226.28 g/mol, XLogP of 0.89, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[5-(aminomethyl)-1H-imidazol-2-yl]methyl]carbamate is sourced from PubChem (CID 69237733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).