2-cyclopropyl-2-methyl-3-(2-methyltetrazol-5-yl)propan-1-amine

C9H17N5 — CID 107053537

IUPAC2-cyclopropyl-2-methyl-3-(2-methyltetrazol-5-yl)propan-1-amine
SMILESCn1nnc(CC(C)(CN)C2CC2)n1
InChIInChI=1S/C9H17N5/c1-9(6-10,7-3-4-7)5-8-11-13-14(2)12-8/h7H,3-6,10H2,1-2H3
InChIKeyRCIFYEJPTARNFD-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.13
Rot. Bonds4

About 2-cyclopropyl-2-methyl-3-(2-methyltetrazol-5-yl)propan-1-amine

2-cyclopropyl-2-methyl-3-(2-methyltetrazol-5-yl)propan-1-amine (PubChem CID 107053537) has the molecular formula C9H17N5 and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-cyclopropyl-2-methyl-3-(2-methyltetrazol-5-yl)propan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-2-methyl-3-(2-methyltetrazol-5-yl)propan-1-amine
PubChem CID107053537
Molecular FormulaC9H17N5
Molecular Weight195.27 g/mol
Exact Mass195.15
IUPAC Name2-cyclopropyl-2-methyl-3-(2-methyltetrazol-5-yl)propan-1-amine
SMILESCn1nnc(CC(C)(CN)C2CC2)n1
InChIInChI=1S/C9H17N5/c1-9(6-10,7-3-4-7)5-8-11-13-14(2)12-8/h7H,3-6,10H2,1-2H3
InChIKeyRCIFYEJPTARNFD-UHFFFAOYSA-N
XLogP0.13
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-methyl-3-(2-methyltetrazol-5-yl)propan-1-amine?
The IUPAC name of 2-cyclopropyl-2-methyl-3-(2-methyltetrazol-5-yl)propan-1-amine (CID 107053537) is 2-cyclopropyl-2-methyl-3-(2-methyltetrazol-5-yl)propan-1-amine.
What is the SMILES notation for 2-cyclopropyl-2-methyl-3-(2-methyltetrazol-5-yl)propan-1-amine?
The canonical SMILES for 2-cyclopropyl-2-methyl-3-(2-methyltetrazol-5-yl)propan-1-amine is Cn1nnc(CC(C)(CN)C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-2-methyl-3-(2-methyltetrazol-5-yl)propan-1-amine?
The InChIKey is RCIFYEJPTARNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5/c1-9(6-10,7-3-4-7)5-8-11-13-14(2)12-8/h7H,3-6,10H2,1-2H3.
What are the key properties of 2-cyclopropyl-2-methyl-3-(2-methyltetrazol-5-yl)propan-1-amine?
2-cyclopropyl-2-methyl-3-(2-methyltetrazol-5-yl)propan-1-amine has a molecular weight of 195.27 g/mol, XLogP of 0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-methyl-3-(2-methyltetrazol-5-yl)propan-1-amine is sourced from PubChem (CID 107053537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).