N,3-dimethyl-4-(2-methyltetrazol-5-yl)butan-2-amine

C8H17N5 — CID 107044611

IUPACN,3-dimethyl-4-(2-methyltetrazol-5-yl)butan-2-amine
SMILESCNC(C)C(C)Cc1nnn(C)n1
InChIInChI=1S/C8H17N5/c1-6(7(2)9-3)5-8-10-12-13(4)11-8/h6-7,9H,5H2,1-4H3
InChIKeyOUBNSUGHBZRMOV-UHFFFAOYSA-N
MW183.26 g/mol
LogP-0.00
Rot. Bonds4

About N,3-dimethyl-4-(2-methyltetrazol-5-yl)butan-2-amine

N,3-dimethyl-4-(2-methyltetrazol-5-yl)butan-2-amine (PubChem CID 107044611) has the molecular formula C8H17N5 and a molecular weight of 183.26 g/mol. Its IUPAC name is N,3-dimethyl-4-(2-methyltetrazol-5-yl)butan-2-amine.

Molecular Properties

Compound NameN,3-dimethyl-4-(2-methyltetrazol-5-yl)butan-2-amine
PubChem CID107044611
Molecular FormulaC8H17N5
Molecular Weight183.26 g/mol
Exact Mass183.15
IUPAC NameN,3-dimethyl-4-(2-methyltetrazol-5-yl)butan-2-amine
SMILESCNC(C)C(C)Cc1nnn(C)n1
InChIInChI=1S/C8H17N5/c1-6(7(2)9-3)5-8-10-12-13(4)11-8/h6-7,9H,5H2,1-4H3
InChIKeyOUBNSUGHBZRMOV-UHFFFAOYSA-N
XLogP-0.00
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
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

5-(3-chloro-2-methylbutyl)-2-methyltetrazole
CID 107052382
2-methyl-3-(2-methyltetrazol-5-yl)propan-1-ol
CID 107057756
N,4-dimethyl-1-(2-methyltetrazol-5-yl)pentan-3-amine
CID 107044605
4-chloro-3-methyl-N-[(2-methyltetrazol-5-yl)methyl]butan-2-amine
CID 107054190
3-methyl-2-[(2-methyltetrazol-5-yl)methyl]butan-1-amine
CID 107052807
3-methyl-2-[(2-methyltetrazol-5-yl)methyl]butan-1-ol
CID 107057781
N,2-dimethyl-4-(2-methyltetrazol-5-yl)butan-1-amine
CID 107054920
1-N,1-N-diethyl-3-N-methyl-4-(2-methyltetrazol-5-yl)butane-1,3-diamine
CID 107050035
N,3-diethyl-1-(2-methyltetrazol-5-yl)pentan-2-amine
CID 107064998
1-(1H-imidazol-2-yl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107050353
1-(2-methylpropylsulfanyl)-3-(2-methyltetrazol-5-yl)propan-2-ol
CID 107047829
2,3,3-trimethyl-N-[(2-methyltetrazol-5-yl)methyl]butan-1-amine
CID 107042638

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-4-(2-methyltetrazol-5-yl)butan-2-amine?
The IUPAC name of N,3-dimethyl-4-(2-methyltetrazol-5-yl)butan-2-amine (CID 107044611) is N,3-dimethyl-4-(2-methyltetrazol-5-yl)butan-2-amine.
What is the SMILES notation for N,3-dimethyl-4-(2-methyltetrazol-5-yl)butan-2-amine?
The canonical SMILES for N,3-dimethyl-4-(2-methyltetrazol-5-yl)butan-2-amine is CNC(C)C(C)Cc1nnn(C)n1.
What is the InChIKey of N,3-dimethyl-4-(2-methyltetrazol-5-yl)butan-2-amine?
The InChIKey is OUBNSUGHBZRMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N5/c1-6(7(2)9-3)5-8-10-12-13(4)11-8/h6-7,9H,5H2,1-4H3.
What are the key properties of N,3-dimethyl-4-(2-methyltetrazol-5-yl)butan-2-amine?
N,3-dimethyl-4-(2-methyltetrazol-5-yl)butan-2-amine has a molecular weight of 183.26 g/mol, XLogP of -0.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-4-(2-methyltetrazol-5-yl)butan-2-amine is sourced from PubChem (CID 107044611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).