N-tert-butyl-N-methyl-4-(1-methyltetrazol-5-yl)butanamide

C11H21N5O — CID 21295305

IUPACN-tert-butyl-N-methyl-4-(1-methyltetrazol-5-yl)butanamide
SMILESCN(C(=O)CCCc1nnnn1C)C(C)(C)C
InChIInChI=1S/C11H21N5O/c1-11(2,3)15(4)10(17)8-6-7-9-12-13-14-16(9)5/h6-8H2,1-5H3
InChIKeyDWFHSXIGDNESNT-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.79
Rot. Bonds4

About N-tert-butyl-N-methyl-4-(1-methyltetrazol-5-yl)butanamide

N-tert-butyl-N-methyl-4-(1-methyltetrazol-5-yl)butanamide (PubChem CID 21295305) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is N-tert-butyl-N-methyl-4-(1-methyltetrazol-5-yl)butanamide.

Molecular Properties

Compound NameN-tert-butyl-N-methyl-4-(1-methyltetrazol-5-yl)butanamide
PubChem CID21295305
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC NameN-tert-butyl-N-methyl-4-(1-methyltetrazol-5-yl)butanamide
SMILESCN(C(=O)CCCc1nnnn1C)C(C)(C)C
InChIInChI=1S/C11H21N5O/c1-11(2,3)15(4)10(17)8-6-7-9-12-13-14-16(9)5/h6-8H2,1-5H3
InChIKeyDWFHSXIGDNESNT-UHFFFAOYSA-N
XLogP0.79
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-butyltetrazol-1-yl)-N,N-diethylbutanamide
CID 13103360
N,N-diethyl-5-(5-methyltetrazol-1-yl)pentanamide
CID 13103366
N,N-diethyl-5-(1-methyl-1,2,3,4-tetrazol-5-yl)valeramide
CID 13142190
N-cyclohexyl-N-ethyl-5-(1-methyltetrazol-5-yl)pentanamide
CID 13203400
1-(4-Acetylpiperazin-1-yl)-4-(1-methyltetrazol-5-yl)butan-1-one
CID 21295324
N,N-diethyl-5-(1-ethyltetrazol-5-yl)pentanamide
CID 21295333
5-(1-Methyltetrazol-5-yl)-1-piperidin-1-ylpentan-1-one
CID 21295469
4-(1-tert-butyltetrazol-5-yl)-N-cyclohexyl-N-ethylbutanamide
CID 21295502
N-cyclohexyl-N,3-dimethyl-4-(1-methyltetrazol-5-yl)butanamide
CID 21295522
N-ethyl-N-[3-(1-methyltetrazol-5-yl)propyl]propanamide
CID 151585517

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-methyl-4-(1-methyltetrazol-5-yl)butanamide?
The IUPAC name of N-tert-butyl-N-methyl-4-(1-methyltetrazol-5-yl)butanamide (CID 21295305) is N-tert-butyl-N-methyl-4-(1-methyltetrazol-5-yl)butanamide.
What is the SMILES notation for N-tert-butyl-N-methyl-4-(1-methyltetrazol-5-yl)butanamide?
The canonical SMILES for N-tert-butyl-N-methyl-4-(1-methyltetrazol-5-yl)butanamide is CN(C(=O)CCCc1nnnn1C)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-methyl-4-(1-methyltetrazol-5-yl)butanamide?
The InChIKey is DWFHSXIGDNESNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-11(2,3)15(4)10(17)8-6-7-9-12-13-14-16(9)5/h6-8H2,1-5H3.
What are the key properties of N-tert-butyl-N-methyl-4-(1-methyltetrazol-5-yl)butanamide?
N-tert-butyl-N-methyl-4-(1-methyltetrazol-5-yl)butanamide has a molecular weight of 239.32 g/mol, XLogP of 0.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-methyl-4-(1-methyltetrazol-5-yl)butanamide is sourced from PubChem (CID 21295305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).