N,N-dibutyl-4-(5-methyltetrazol-1-yl)butanamide

C14H27N5O — CID 13103343

IUPACN,N-dibutyl-4-(5-methyltetrazol-1-yl)butanamide
SMILESCCCCN(CCCC)C(=O)CCCn1nnnc1C
InChIInChI=1S/C14H27N5O/c1-4-6-10-18(11-7-5-2)14(20)9-8-12-19-13(3)15-16-17-19/h4-12H2,1-3H3
InChIKeyWCCHYKJULOSCDF-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.19
Rot. Bonds10

About N,N-dibutyl-4-(5-methyltetrazol-1-yl)butanamide

N,N-dibutyl-4-(5-methyltetrazol-1-yl)butanamide (PubChem CID 13103343) has the molecular formula C14H27N5O and a molecular weight of 281.40 g/mol. Its IUPAC name is N,N-dibutyl-4-(5-methyltetrazol-1-yl)butanamide.

Molecular Properties

Compound NameN,N-dibutyl-4-(5-methyltetrazol-1-yl)butanamide
PubChem CID13103343
Molecular FormulaC14H27N5O
Molecular Weight281.40 g/mol
Exact Mass281.22
IUPAC NameN,N-dibutyl-4-(5-methyltetrazol-1-yl)butanamide
SMILESCCCCN(CCCC)C(=O)CCCn1nnnc1C
InChIInChI=1S/C14H27N5O/c1-4-6-10-18(11-7-5-2)14(20)9-8-12-19-13(3)15-16-17-19/h4-12H2,1-3H3
InChIKeyWCCHYKJULOSCDF-UHFFFAOYSA-N
XLogP2.19
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-4-(5-methyltetrazol-1-yl)butanamide?
The IUPAC name of N,N-dibutyl-4-(5-methyltetrazol-1-yl)butanamide (CID 13103343) is N,N-dibutyl-4-(5-methyltetrazol-1-yl)butanamide.
What is the SMILES notation for N,N-dibutyl-4-(5-methyltetrazol-1-yl)butanamide?
The canonical SMILES for N,N-dibutyl-4-(5-methyltetrazol-1-yl)butanamide is CCCCN(CCCC)C(=O)CCCn1nnnc1C.
What is the InChIKey of N,N-dibutyl-4-(5-methyltetrazol-1-yl)butanamide?
The InChIKey is WCCHYKJULOSCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O/c1-4-6-10-18(11-7-5-2)14(20)9-8-12-19-13(3)15-16-17-19/h4-12H2,1-3H3.
What are the key properties of N,N-dibutyl-4-(5-methyltetrazol-1-yl)butanamide?
N,N-dibutyl-4-(5-methyltetrazol-1-yl)butanamide has a molecular weight of 281.40 g/mol, XLogP of 2.19, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-4-(5-methyltetrazol-1-yl)butanamide is sourced from PubChem (CID 13103343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).