3-methyl-2-[(2-methyltetrazol-5-yl)methyl]butan-1-amine

C8H17N5 — CID 107052807

IUPAC3-methyl-2-[(2-methyltetrazol-5-yl)methyl]butan-1-amine
SMILESCC(C)C(CN)Cc1nnn(C)n1
InChIInChI=1S/C8H17N5/c1-6(2)7(5-9)4-8-10-12-13(3)11-8/h6-7H,4-5,9H2,1-3H3
InChIKeyCIALVCUEBMZTCH-UHFFFAOYSA-N
MW183.26 g/mol
LogP-0.02
Rot. Bonds4

About 3-methyl-2-[(2-methyltetrazol-5-yl)methyl]butan-1-amine

3-methyl-2-[(2-methyltetrazol-5-yl)methyl]butan-1-amine (PubChem CID 107052807) has the molecular formula C8H17N5 and a molecular weight of 183.26 g/mol. Its IUPAC name is 3-methyl-2-[(2-methyltetrazol-5-yl)methyl]butan-1-amine.

Molecular Properties

Compound Name3-methyl-2-[(2-methyltetrazol-5-yl)methyl]butan-1-amine
PubChem CID107052807
Molecular FormulaC8H17N5
Molecular Weight183.26 g/mol
Exact Mass183.15
IUPAC Name3-methyl-2-[(2-methyltetrazol-5-yl)methyl]butan-1-amine
SMILESCC(C)C(CN)Cc1nnn(C)n1
InChIInChI=1S/C8H17N5/c1-6(2)7(5-9)4-8-10-12-13(3)11-8/h6-7H,4-5,9H2,1-3H3
InChIKeyCIALVCUEBMZTCH-UHFFFAOYSA-N
XLogP-0.02
TPSA69.62 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 ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-2-[(2-methyltetrazol-5-yl)methyl]butan-1-ol
CID 107057781
5-(3-chloro-2-methylbutyl)-2-methyltetrazole
CID 107052382
2-methyl-3-(2-methyltetrazol-5-yl)propan-1-ol
CID 107057756
N,3-dimethyl-4-(2-methyltetrazol-5-yl)butan-2-amine
CID 107044611
2-N-methyl-2-N-[(2-methyltetrazol-5-yl)methyl]propane-1,2-diamine
CID 107054322
N,3-diethyl-1-(2-methyltetrazol-5-yl)pentan-2-amine
CID 107064998
2-(4-chlorophenyl)-3-(2-methyltetrazol-5-yl)propan-1-amine
CID 107053375
1,1-diethoxy-3-(2-methyltetrazol-5-yl)propan-2-amine
CID 107050132
N,4-dimethyl-1-(2-methyltetrazol-5-yl)pentan-3-amine
CID 107044605
1-cyclopropyl-3-(2-methyltetrazol-5-yl)propan-2-amine
CID 107050394
3-methoxy-3-methyl-1-(2-methyltetrazol-5-yl)butan-2-ol
CID 107047970
1-cyclobutyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107049334

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(2-methyltetrazol-5-yl)methyl]butan-1-amine?
The IUPAC name of 3-methyl-2-[(2-methyltetrazol-5-yl)methyl]butan-1-amine (CID 107052807) is 3-methyl-2-[(2-methyltetrazol-5-yl)methyl]butan-1-amine.
What is the SMILES notation for 3-methyl-2-[(2-methyltetrazol-5-yl)methyl]butan-1-amine?
The canonical SMILES for 3-methyl-2-[(2-methyltetrazol-5-yl)methyl]butan-1-amine is CC(C)C(CN)Cc1nnn(C)n1.
What is the InChIKey of 3-methyl-2-[(2-methyltetrazol-5-yl)methyl]butan-1-amine?
The InChIKey is CIALVCUEBMZTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N5/c1-6(2)7(5-9)4-8-10-12-13(3)11-8/h6-7H,4-5,9H2,1-3H3.
What are the key properties of 3-methyl-2-[(2-methyltetrazol-5-yl)methyl]butan-1-amine?
3-methyl-2-[(2-methyltetrazol-5-yl)methyl]butan-1-amine has a molecular weight of 183.26 g/mol, XLogP of -0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(2-methyltetrazol-5-yl)methyl]butan-1-amine is sourced from PubChem (CID 107052807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).