N-[1-(1-cyclopropyltetrazol-5-yl)ethyl]-2,2-dimethylbutanamide

C12H21N5O — CID 86807912

IUPACN-[1-(1-cyclopropyltetrazol-5-yl)ethyl]-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)NC(C)c1nnnn1C1CC1
InChIInChI=1S/C12H21N5O/c1-5-12(3,4)11(18)13-8(2)10-14-15-16-17(10)9-6-7-9/h8-9H,5-7H2,1-4H3,(H,13,18)
InChIKeyBPUYGPPLDMDMLL-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.62
Rot. Bonds5

About N-[1-(1-cyclopropyltetrazol-5-yl)ethyl]-2,2-dimethylbutanamide

N-[1-(1-cyclopropyltetrazol-5-yl)ethyl]-2,2-dimethylbutanamide (PubChem CID 86807912) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[1-(1-cyclopropyltetrazol-5-yl)ethyl]-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-[1-(1-cyclopropyltetrazol-5-yl)ethyl]-2,2-dimethylbutanamide
PubChem CID86807912
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC NameN-[1-(1-cyclopropyltetrazol-5-yl)ethyl]-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)NC(C)c1nnnn1C1CC1
InChIInChI=1S/C12H21N5O/c1-5-12(3,4)11(18)13-8(2)10-14-15-16-17(10)9-6-7-9/h8-9H,5-7H2,1-4H3,(H,13,18)
InChIKeyBPUYGPPLDMDMLL-UHFFFAOYSA-N
XLogP1.62
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-cyclopropyltetrazol-5-yl)ethyl]-2,2-dimethylbutanamide?
The IUPAC name of N-[1-(1-cyclopropyltetrazol-5-yl)ethyl]-2,2-dimethylbutanamide (CID 86807912) is N-[1-(1-cyclopropyltetrazol-5-yl)ethyl]-2,2-dimethylbutanamide.
What is the SMILES notation for N-[1-(1-cyclopropyltetrazol-5-yl)ethyl]-2,2-dimethylbutanamide?
The canonical SMILES for N-[1-(1-cyclopropyltetrazol-5-yl)ethyl]-2,2-dimethylbutanamide is CCC(C)(C)C(=O)NC(C)c1nnnn1C1CC1.
What is the InChIKey of N-[1-(1-cyclopropyltetrazol-5-yl)ethyl]-2,2-dimethylbutanamide?
The InChIKey is BPUYGPPLDMDMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-5-12(3,4)11(18)13-8(2)10-14-15-16-17(10)9-6-7-9/h8-9H,5-7H2,1-4H3,(H,13,18).
What are the key properties of N-[1-(1-cyclopropyltetrazol-5-yl)ethyl]-2,2-dimethylbutanamide?
N-[1-(1-cyclopropyltetrazol-5-yl)ethyl]-2,2-dimethylbutanamide has a molecular weight of 251.33 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-cyclopropyltetrazol-5-yl)ethyl]-2,2-dimethylbutanamide is sourced from PubChem (CID 86807912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).