N,2-dimethyl-4-(2-methyltetrazol-5-yl)butan-1-amine

C8H17N5 — CID 107054920

IUPACN,2-dimethyl-4-(2-methyltetrazol-5-yl)butan-1-amine
SMILESCNCC(C)CCc1nnn(C)n1
InChIInChI=1S/C8H17N5/c1-7(6-9-2)4-5-8-10-12-13(3)11-8/h7,9H,4-6H2,1-3H3
InChIKeySTAGUNGPJUHUPG-UHFFFAOYSA-N
MW183.26 g/mol
LogP-0.00
Rot. Bonds5

About N,2-dimethyl-4-(2-methyltetrazol-5-yl)butan-1-amine

N,2-dimethyl-4-(2-methyltetrazol-5-yl)butan-1-amine (PubChem CID 107054920) has the molecular formula C8H17N5 and a molecular weight of 183.26 g/mol. Its IUPAC name is N,2-dimethyl-4-(2-methyltetrazol-5-yl)butan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-4-(2-methyltetrazol-5-yl)butan-1-amine
PubChem CID107054920
Molecular FormulaC8H17N5
Molecular Weight183.26 g/mol
Exact Mass183.15
IUPAC NameN,2-dimethyl-4-(2-methyltetrazol-5-yl)butan-1-amine
SMILESCNCC(C)CCc1nnn(C)n1
InChIInChI=1S/C8H17N5/c1-7(6-9-2)4-5-8-10-12-13(3)11-8/h7,9H,4-6H2,1-3H3
InChIKeySTAGUNGPJUHUPG-UHFFFAOYSA-N
XLogP-0.00
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.26
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,4-dimethyl-1-(2-methyltetrazol-5-yl)pentan-3-amine
CID 107044605
N,3-dimethyl-4-(2-methyltetrazol-5-yl)butan-2-amine
CID 107044611
5-(4-chloropentyl)-2-methyltetrazole
CID 107055052
1-cyclopropyl-3-(2-methyltetrazol-5-yl)propan-1-ol
CID 107052346
N-methyl-6-(2-methyltetrazol-5-yl)hexan-3-amine
CID 107054892
2-methyl-3-(2-methyltetrazol-5-yl)propan-1-ol
CID 107057756
2,3,3-trimethyl-N-[(2-methyltetrazol-5-yl)methyl]butan-1-amine
CID 107042638
2-[(4-fluorophenyl)methyl]-N-methyl-3-(2-methyltetrazol-5-yl)propan-1-amine
CID 107052945
N-[(2-methyltetrazol-5-yl)methyl]pent-4-yn-2-amine
CID 107042700
2-[(4-chlorophenyl)methyl]-N-methyl-3-(2-methyltetrazol-5-yl)propan-1-amine
CID 107052955
2-ethyl-N-[(2-methyltetrazol-5-yl)methyl]butan-1-amine
CID 107042740
1-cyclopentyl-3-(2-methyltetrazol-5-yl)propan-1-amine
CID 107044748

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-4-(2-methyltetrazol-5-yl)butan-1-amine?
The IUPAC name of N,2-dimethyl-4-(2-methyltetrazol-5-yl)butan-1-amine (CID 107054920) is N,2-dimethyl-4-(2-methyltetrazol-5-yl)butan-1-amine.
What is the SMILES notation for N,2-dimethyl-4-(2-methyltetrazol-5-yl)butan-1-amine?
The canonical SMILES for N,2-dimethyl-4-(2-methyltetrazol-5-yl)butan-1-amine is CNCC(C)CCc1nnn(C)n1.
What is the InChIKey of N,2-dimethyl-4-(2-methyltetrazol-5-yl)butan-1-amine?
The InChIKey is STAGUNGPJUHUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N5/c1-7(6-9-2)4-5-8-10-12-13(3)11-8/h7,9H,4-6H2,1-3H3.
What are the key properties of N,2-dimethyl-4-(2-methyltetrazol-5-yl)butan-1-amine?
N,2-dimethyl-4-(2-methyltetrazol-5-yl)butan-1-amine has a molecular weight of 183.26 g/mol, XLogP of -0.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-4-(2-methyltetrazol-5-yl)butan-1-amine is sourced from PubChem (CID 107054920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).