tert-butyl N-[6-(5-methyltetrazol-1-yl)hexyl]carbamate

C13H25N5O2 — CID 125419969

IUPACtert-butyl N-[6-(5-methyltetrazol-1-yl)hexyl]carbamate
SMILESCc1nnnn1CCCCCCNC(=O)OC(C)(C)C
InChIInChI=1S/C13H25N5O2/c1-11-15-16-17-18(11)10-8-6-5-7-9-14-12(19)20-13(2,3)4/h5-10H2,1-4H3,(H,14,19)
InChIKeyWNRUTSYPQNABJS-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.07
Rot. Bonds7

About tert-butyl N-[6-(5-methyltetrazol-1-yl)hexyl]carbamate

tert-butyl N-[6-(5-methyltetrazol-1-yl)hexyl]carbamate (PubChem CID 125419969) has the molecular formula C13H25N5O2 and a molecular weight of 283.38 g/mol. Its IUPAC name is tert-butyl N-[6-(5-methyltetrazol-1-yl)hexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[6-(5-methyltetrazol-1-yl)hexyl]carbamate
PubChem CID125419969
Molecular FormulaC13H25N5O2
Molecular Weight283.38 g/mol
Exact Mass283.20
IUPAC Nametert-butyl N-[6-(5-methyltetrazol-1-yl)hexyl]carbamate
SMILESCc1nnnn1CCCCCCNC(=O)OC(C)(C)C
InChIInChI=1S/C13H25N5O2/c1-11-15-16-17-18(11)10-8-6-5-7-9-14-12(19)20-13(2,3)4/h5-10H2,1-4H3,(H,14,19)
InChIKeyWNRUTSYPQNABJS-UHFFFAOYSA-N
XLogP2.07
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2-[1-(2-Fluoro-ethyl)-1H-tetrazol-5-yl]-ethyl)-carbamic acid tert-butyl ester
CID 57466830
tert-butyl N-[[1-(2-oxobutyl)tetrazol-5-yl]methyl]carbamate
CID 71853396
3-[5-(2-t-Butoxycarbonylamino-ethyl)-tetrazol-1-yl]propionitrile
CID 19094408
tert-butyl N-[(1S)-1-[1-(2-cyanoethyl)tetrazol-5-yl]ethyl]carbamate
CID 53921644
tert-Butyl (2-(1-methyl-1H-tetrazol-5-yl)ethyl)carbamate
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tert-butyl N-[2-(1-ethyltetrazol-5-yl)ethyl]carbamate
CID 67159691
tert-butyl N-[2-(5-ethyltetrazol-1-yl)ethyl]carbamate
CID 68759139
tert-butyl N-[2-(1-ethyltetrazol-5-yl)ethyl]carbamate;2-(1-ethyltetrazol-5-yl)ethanamine
CID 68884828
tert-butyl N-[2-[[1-(2-cyanoethyl)tetrazol-5-yl]methyl]-4-methylpentyl]carbamate
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tert-butyl N-[6-(tetrazol-1-yl)hexyl]carbamate
CID 70555734
tert-butyl N-[2-(1-propan-2-yltetrazol-5-yl)ethyl]carbamate
CID 70853606
tert-butyl N-[2-[1-(2-aminooxyethyl)tetrazol-5-yl]ethyl]carbamate
CID 140918925

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-(5-methyltetrazol-1-yl)hexyl]carbamate?
The IUPAC name of tert-butyl N-[6-(5-methyltetrazol-1-yl)hexyl]carbamate (CID 125419969) is tert-butyl N-[6-(5-methyltetrazol-1-yl)hexyl]carbamate.
What is the SMILES notation for tert-butyl N-[6-(5-methyltetrazol-1-yl)hexyl]carbamate?
The canonical SMILES for tert-butyl N-[6-(5-methyltetrazol-1-yl)hexyl]carbamate is Cc1nnnn1CCCCCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[6-(5-methyltetrazol-1-yl)hexyl]carbamate?
The InChIKey is WNRUTSYPQNABJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O2/c1-11-15-16-17-18(11)10-8-6-5-7-9-14-12(19)20-13(2,3)4/h5-10H2,1-4H3,(H,14,19).
What are the key properties of tert-butyl N-[6-(5-methyltetrazol-1-yl)hexyl]carbamate?
tert-butyl N-[6-(5-methyltetrazol-1-yl)hexyl]carbamate has a molecular weight of 283.38 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[6-(5-methyltetrazol-1-yl)hexyl]carbamate is sourced from PubChem (CID 125419969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).