(2,2-dimethylcyclopropyl)-(2-methyltetrazol-5-yl)methanamine

C8H15N5 — CID 131181790

IUPAC(2,2-dimethylcyclopropyl)-(2-methyltetrazol-5-yl)methanamine
SMILESCn1nnc(C(N)C2CC2(C)C)n1
InChIInChI=1S/C8H15N5/c1-8(2)4-5(8)6(9)7-10-12-13(3)11-7/h5-6H,4,9H2,1-3H3
InChIKeyDUPNLICKISQLMR-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.26
Rot. Bonds2

About (2,2-dimethylcyclopropyl)-(2-methyltetrazol-5-yl)methanamine

(2,2-dimethylcyclopropyl)-(2-methyltetrazol-5-yl)methanamine (PubChem CID 131181790) has the molecular formula C8H15N5 and a molecular weight of 181.24 g/mol. Its IUPAC name is (2,2-dimethylcyclopropyl)-(2-methyltetrazol-5-yl)methanamine.

Molecular Properties

Compound Name(2,2-dimethylcyclopropyl)-(2-methyltetrazol-5-yl)methanamine
PubChem CID131181790
Molecular FormulaC8H15N5
Molecular Weight181.24 g/mol
Exact Mass181.13
IUPAC Name(2,2-dimethylcyclopropyl)-(2-methyltetrazol-5-yl)methanamine
SMILESCn1nnc(C(N)C2CC2(C)C)n1
InChIInChI=1S/C8H15N5/c1-8(2)4-5(8)6(9)7-10-12-13(3)11-7/h5-6H,4,9H2,1-3H3
InChIKeyDUPNLICKISQLMR-UHFFFAOYSA-N
XLogP0.26
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylcyclopropyl)-(2-methyltetrazol-5-yl)methanamine?
The IUPAC name of (2,2-dimethylcyclopropyl)-(2-methyltetrazol-5-yl)methanamine (CID 131181790) is (2,2-dimethylcyclopropyl)-(2-methyltetrazol-5-yl)methanamine.
What is the SMILES notation for (2,2-dimethylcyclopropyl)-(2-methyltetrazol-5-yl)methanamine?
The canonical SMILES for (2,2-dimethylcyclopropyl)-(2-methyltetrazol-5-yl)methanamine is Cn1nnc(C(N)C2CC2(C)C)n1.
What is the InChIKey of (2,2-dimethylcyclopropyl)-(2-methyltetrazol-5-yl)methanamine?
The InChIKey is DUPNLICKISQLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5/c1-8(2)4-5(8)6(9)7-10-12-13(3)11-7/h5-6H,4,9H2,1-3H3.
What are the key properties of (2,2-dimethylcyclopropyl)-(2-methyltetrazol-5-yl)methanamine?
(2,2-dimethylcyclopropyl)-(2-methyltetrazol-5-yl)methanamine has a molecular weight of 181.24 g/mol, XLogP of 0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylcyclopropyl)-(2-methyltetrazol-5-yl)methanamine is sourced from PubChem (CID 131181790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).