tert-butyl N-[2-(5-amino-2-butyl-4-cyanoimidazol-1-yl)ethyl]carbamate

C15H25N5O2 — CID 130275194

IUPACtert-butyl N-[2-(5-amino-2-butyl-4-cyanoimidazol-1-yl)ethyl]carbamate
SMILESCCCCc1nc(C#N)c(N)n1CCNC(=O)OC(C)(C)C
InChIInChI=1S/C15H25N5O2/c1-5-6-7-12-19-11(10-16)13(17)20(12)9-8-18-14(21)22-15(2,3)4/h5-9,17H2,1-4H3,(H,18,21)
InChIKeyYMXPWLOXZJPKDN-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.20
Rot. Bonds6

About tert-butyl N-[2-(5-amino-2-butyl-4-cyanoimidazol-1-yl)ethyl]carbamate

tert-butyl N-[2-(5-amino-2-butyl-4-cyanoimidazol-1-yl)ethyl]carbamate (PubChem CID 130275194) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is tert-butyl N-[2-(5-amino-2-butyl-4-cyanoimidazol-1-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(5-amino-2-butyl-4-cyanoimidazol-1-yl)ethyl]carbamate
PubChem CID130275194
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Nametert-butyl N-[2-(5-amino-2-butyl-4-cyanoimidazol-1-yl)ethyl]carbamate
SMILESCCCCc1nc(C#N)c(N)n1CCNC(=O)OC(C)(C)C
InChIInChI=1S/C15H25N5O2/c1-5-6-7-12-19-11(10-16)13(17)20(12)9-8-18-14(21)22-15(2,3)4/h5-9,17H2,1-4H3,(H,18,21)
InChIKeyYMXPWLOXZJPKDN-UHFFFAOYSA-N
XLogP2.20
TPSA105.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[2-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)ethyl]carbamate
CID 22172751
tert-butyl N-[2-(2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)ethyl]carbamate
CID 22172746
5-amino-2-butyl-1-[[4-(trifluoromethyl)phenyl]methyl]imidazole-4-carbonitrile
CID 171647436
tert-butyl N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]carbamate
CID 71472212
tert-butyl N-butylcarbamate;methane
CID 153346289
tert-butyl N-[4-[8-butyl-6-(dibenzoylamino)-2-nitropurin-9-yl]butyl]carbamate
CID 155060332
tert-butyl N-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropyl]carbamate
CID 166933579
tert-butyl N-pentylcarbamate;bis(pentane)
CID 171066640
tert-butyl N-[2-(2-chloro-4,5-dimethylimidazol-1-yl)ethyl]carbamate
CID 139555936
tert-butyl N-nonylcarbamate;ethane
CID 168941348
tert-butyl N-[2-[(5-amino-4-cyano-1-propan-2-ylpyrazol-3-yl)amino]ethyl]carbamate
CID 102795954
tert-butyl N-[3-[(3-amino-4-cyano-2-pyridinyl)amino]propyl]carbamate
CID 114517926

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(5-amino-2-butyl-4-cyanoimidazol-1-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(5-amino-2-butyl-4-cyanoimidazol-1-yl)ethyl]carbamate (CID 130275194) is tert-butyl N-[2-(5-amino-2-butyl-4-cyanoimidazol-1-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(5-amino-2-butyl-4-cyanoimidazol-1-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(5-amino-2-butyl-4-cyanoimidazol-1-yl)ethyl]carbamate is CCCCc1nc(C#N)c(N)n1CCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(5-amino-2-butyl-4-cyanoimidazol-1-yl)ethyl]carbamate?
The InChIKey is YMXPWLOXZJPKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-5-6-7-12-19-11(10-16)13(17)20(12)9-8-18-14(21)22-15(2,3)4/h5-9,17H2,1-4H3,(H,18,21).
What are the key properties of tert-butyl N-[2-(5-amino-2-butyl-4-cyanoimidazol-1-yl)ethyl]carbamate?
tert-butyl N-[2-(5-amino-2-butyl-4-cyanoimidazol-1-yl)ethyl]carbamate has a molecular weight of 307.40 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(5-amino-2-butyl-4-cyanoimidazol-1-yl)ethyl]carbamate is sourced from PubChem (CID 130275194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).