[1-(2-methyl-2-propan-2-ylcyclopropyl)tetrazol-5-yl]methanamine

C9H17N5 — CID 130871011

IUPAC[1-(2-methyl-2-propan-2-ylcyclopropyl)tetrazol-5-yl]methanamine
SMILESCC(C)C1(C)CC1n1nnnc1CN
InChIInChI=1S/C9H17N5/c1-6(2)9(3)4-7(9)14-8(5-10)11-12-13-14/h6-7H,4-5,10H2,1-3H3
InChIKeyOAIHPXDNPZLXAK-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.74
Rot. Bonds3

About [1-(2-methyl-2-propan-2-ylcyclopropyl)tetrazol-5-yl]methanamine

[1-(2-methyl-2-propan-2-ylcyclopropyl)tetrazol-5-yl]methanamine (PubChem CID 130871011) has the molecular formula C9H17N5 and a molecular weight of 195.27 g/mol. Its IUPAC name is [1-(2-methyl-2-propan-2-ylcyclopropyl)tetrazol-5-yl]methanamine.

Molecular Properties

Compound Name[1-(2-methyl-2-propan-2-ylcyclopropyl)tetrazol-5-yl]methanamine
PubChem CID130871011
Molecular FormulaC9H17N5
Molecular Weight195.27 g/mol
Exact Mass195.15
IUPAC Name[1-(2-methyl-2-propan-2-ylcyclopropyl)tetrazol-5-yl]methanamine
SMILESCC(C)C1(C)CC1n1nnnc1CN
InChIInChI=1S/C9H17N5/c1-6(2)9(3)4-7(9)14-8(5-10)11-12-13-14/h6-7H,4-5,10H2,1-3H3
InChIKeyOAIHPXDNPZLXAK-UHFFFAOYSA-N
XLogP0.74
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(2-methyl-2-propan-2-ylcyclopropyl)tetrazol-5-yl]methanamine?
The IUPAC name of [1-(2-methyl-2-propan-2-ylcyclopropyl)tetrazol-5-yl]methanamine (CID 130871011) is [1-(2-methyl-2-propan-2-ylcyclopropyl)tetrazol-5-yl]methanamine.
What is the SMILES notation for [1-(2-methyl-2-propan-2-ylcyclopropyl)tetrazol-5-yl]methanamine?
The canonical SMILES for [1-(2-methyl-2-propan-2-ylcyclopropyl)tetrazol-5-yl]methanamine is CC(C)C1(C)CC1n1nnnc1CN.
What is the InChIKey of [1-(2-methyl-2-propan-2-ylcyclopropyl)tetrazol-5-yl]methanamine?
The InChIKey is OAIHPXDNPZLXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5/c1-6(2)9(3)4-7(9)14-8(5-10)11-12-13-14/h6-7H,4-5,10H2,1-3H3.
What are the key properties of [1-(2-methyl-2-propan-2-ylcyclopropyl)tetrazol-5-yl]methanamine?
[1-(2-methyl-2-propan-2-ylcyclopropyl)tetrazol-5-yl]methanamine has a molecular weight of 195.27 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methyl-2-propan-2-ylcyclopropyl)tetrazol-5-yl]methanamine is sourced from PubChem (CID 130871011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).