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

C8H15N5 — CID 107042690

IUPAC3-methyl-N-[(2-methyltetrazol-5-yl)methyl]cyclobutan-1-amine
SMILESCC1CC(NCc2nnn(C)n2)C1
InChIInChI=1S/C8H15N5/c1-6-3-7(4-6)9-5-8-10-12-13(2)11-8/h6-7,9H,3-5H2,1-2H3
InChIKeyGAPTZFDIZVJLPM-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.10
Rot. Bonds3

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

3-methyl-N-[(2-methyltetrazol-5-yl)methyl]cyclobutan-1-amine (PubChem CID 107042690) has the molecular formula C8H15N5 and a molecular weight of 181.24 g/mol. Its IUPAC name is 3-methyl-N-[(2-methyltetrazol-5-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[(2-methyltetrazol-5-yl)methyl]cyclobutan-1-amine
PubChem CID107042690
Molecular FormulaC8H15N5
Molecular Weight181.24 g/mol
Exact Mass181.13
IUPAC Name3-methyl-N-[(2-methyltetrazol-5-yl)methyl]cyclobutan-1-amine
SMILESCC1CC(NCc2nnn(C)n2)C1
InChIInChI=1S/C8H15N5/c1-6-3-7(4-6)9-5-8-10-12-13(2)11-8/h6-7,9H,3-5H2,1-2H3
InChIKeyGAPTZFDIZVJLPM-UHFFFAOYSA-N
XLogP0.10
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-amine
CID 107054011
3-ethyl-N-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-amine
CID 107042459
5-[(2-methyltetrazol-5-yl)methylamino]piperidin-2-one
CID 107042410
2-methyl-N-[(2-methyltetrazol-5-yl)methyl]cycloheptan-1-amine
CID 107042493
N-[(2-methyltetrazol-5-yl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 107042445
3-methyl-N-[(1-methyltriazol-4-yl)methyl]cyclobutan-1-amine
CID 115671466
N-[(2-methyltetrazol-5-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 107042348
1-(chloromethyl)-4-methyl-N-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-amine
CID 107054051
N-[(2-methyltetrazol-5-yl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 107042292
N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methylcyclobutan-1-amine
CID 115768120
N-[[5-[(2-methyltetrazol-5-yl)methoxy]-2-pyridinyl]methyl]cyclopropanamine
CID 107041521
N-[2,3-dimethyl-2-[(2-methyltetrazol-5-yl)methyl]butyl]cyclopropanamine
CID 107053558

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(2-methyltetrazol-5-yl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-methyl-N-[(2-methyltetrazol-5-yl)methyl]cyclobutan-1-amine (CID 107042690) is 3-methyl-N-[(2-methyltetrazol-5-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-methyl-N-[(2-methyltetrazol-5-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-methyl-N-[(2-methyltetrazol-5-yl)methyl]cyclobutan-1-amine is CC1CC(NCc2nnn(C)n2)C1.
What is the InChIKey of 3-methyl-N-[(2-methyltetrazol-5-yl)methyl]cyclobutan-1-amine?
The InChIKey is GAPTZFDIZVJLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5/c1-6-3-7(4-6)9-5-8-10-12-13(2)11-8/h6-7,9H,3-5H2,1-2H3.
What are the key properties of 3-methyl-N-[(2-methyltetrazol-5-yl)methyl]cyclobutan-1-amine?
3-methyl-N-[(2-methyltetrazol-5-yl)methyl]cyclobutan-1-amine has a molecular weight of 181.24 g/mol, XLogP of 0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(2-methyltetrazol-5-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 107042690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).