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

C10H21N5 — CID 107042638

IUPAC2,3,3-trimethyl-N-[(2-methyltetrazol-5-yl)methyl]butan-1-amine
SMILESCC(CNCc1nnn(C)n1)C(C)(C)C
InChIInChI=1S/C10H21N5/c1-8(10(2,3)4)6-11-7-9-12-14-15(5)13-9/h8,11H,6-7H2,1-5H3
InChIKeyAQLXDLBSUWARGY-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.98
Rot. Bonds4

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

2,3,3-trimethyl-N-[(2-methyltetrazol-5-yl)methyl]butan-1-amine (PubChem CID 107042638) has the molecular formula C10H21N5 and a molecular weight of 211.31 g/mol. Its IUPAC name is 2,3,3-trimethyl-N-[(2-methyltetrazol-5-yl)methyl]butan-1-amine.

Molecular Properties

Compound Name2,3,3-trimethyl-N-[(2-methyltetrazol-5-yl)methyl]butan-1-amine
PubChem CID107042638
Molecular FormulaC10H21N5
Molecular Weight211.31 g/mol
Exact Mass211.18
IUPAC Name2,3,3-trimethyl-N-[(2-methyltetrazol-5-yl)methyl]butan-1-amine
SMILESCC(CNCc1nnn(C)n1)C(C)(C)C
InChIInChI=1S/C10H21N5/c1-8(10(2,3)4)6-11-7-9-12-14-15(5)13-9/h8,11H,6-7H2,1-5H3
InChIKeyAQLXDLBSUWARGY-UHFFFAOYSA-N
XLogP0.98
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-N-[(2-methyltetrazol-5-yl)methyl]butan-1-amine
CID 107042740
N-ethyl-3,3-dimethyl-2-[(2-methyltetrazol-5-yl)methyl]butan-1-amine
CID 107053527
2-chloro-N-[(2-methyltetrazol-5-yl)methyl]-2-phenylethanamine
CID 107054007
N,4-dimethyl-1-(2-methyltetrazol-5-yl)pentan-3-amine
CID 107044605
N-(2-methylpropyl)-3-[(2-methyltetrazol-5-yl)methylamino]propanamide
CID 107042666
N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-2,3,3-trimethylbutan-1-amine
CID 83144029
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,3,3-trimethylbutan-1-amine
CID 115629590
2,3-dimethyl-1-(2-methyltetrazol-5-yl)butan-2-amine
CID 107046659
2-methyl-N-[2-(2-methyltetrazol-5-yl)ethyl]propan-2-amine
CID 107049249
3-methyl-N-[(2-methyltetrazol-5-yl)methyl]but-2-en-1-amine
CID 107166974
N,2-dimethyl-4-(2-methyltetrazol-5-yl)butan-1-amine
CID 107054920
2-bromo-N-[(2-methyltetrazol-5-yl)methyl]prop-2-en-1-amine
CID 107042685

Frequently Asked Questions

What is the IUPAC name of 2,3,3-trimethyl-N-[(2-methyltetrazol-5-yl)methyl]butan-1-amine?
The IUPAC name of 2,3,3-trimethyl-N-[(2-methyltetrazol-5-yl)methyl]butan-1-amine (CID 107042638) is 2,3,3-trimethyl-N-[(2-methyltetrazol-5-yl)methyl]butan-1-amine.
What is the SMILES notation for 2,3,3-trimethyl-N-[(2-methyltetrazol-5-yl)methyl]butan-1-amine?
The canonical SMILES for 2,3,3-trimethyl-N-[(2-methyltetrazol-5-yl)methyl]butan-1-amine is CC(CNCc1nnn(C)n1)C(C)(C)C.
What is the InChIKey of 2,3,3-trimethyl-N-[(2-methyltetrazol-5-yl)methyl]butan-1-amine?
The InChIKey is AQLXDLBSUWARGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N5/c1-8(10(2,3)4)6-11-7-9-12-14-15(5)13-9/h8,11H,6-7H2,1-5H3.
What are the key properties of 2,3,3-trimethyl-N-[(2-methyltetrazol-5-yl)methyl]butan-1-amine?
2,3,3-trimethyl-N-[(2-methyltetrazol-5-yl)methyl]butan-1-amine has a molecular weight of 211.31 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trimethyl-N-[(2-methyltetrazol-5-yl)methyl]butan-1-amine is sourced from PubChem (CID 107042638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).