1-[(1R,2S)-2-cyclopropylcyclopropyl]-N-[(2-methyltetrazol-5-yl)methyl]ethanamine

C11H19N5 — CID 126822572

IUPAC1-[(1R,2S)-2-cyclopropylcyclopropyl]-N-[(2-methyltetrazol-5-yl)methyl]ethanamine
SMILESCC(NCc1nnn(C)n1)[C@@H]1C[C@H]1C1CC1
InChIInChI=1S/C11H19N5/c1-7(9-5-10(9)8-3-4-8)12-6-11-13-15-16(2)14-11/h7-10,12H,3-6H2,1-2H3/t7?,9-,10-/m0/s1
InChIKeyNAUGDKHLFSKWTG-IVNRZZHDSA-N
MW221.31 g/mol
LogP0.73
Rot. Bonds5

About 1-[(1R,2S)-2-cyclopropylcyclopropyl]-N-[(2-methyltetrazol-5-yl)methyl]ethanamine

1-[(1R,2S)-2-cyclopropylcyclopropyl]-N-[(2-methyltetrazol-5-yl)methyl]ethanamine (PubChem CID 126822572) has the molecular formula C11H19N5 and a molecular weight of 221.31 g/mol. Its IUPAC name is 1-[(1R,2S)-2-cyclopropylcyclopropyl]-N-[(2-methyltetrazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-[(1R,2S)-2-cyclopropylcyclopropyl]-N-[(2-methyltetrazol-5-yl)methyl]ethanamine
PubChem CID126822572
Molecular FormulaC11H19N5
Molecular Weight221.31 g/mol
Exact Mass221.16
IUPAC Name1-[(1R,2S)-2-cyclopropylcyclopropyl]-N-[(2-methyltetrazol-5-yl)methyl]ethanamine
SMILESCC(NCc1nnn(C)n1)[C@@H]1C[C@H]1C1CC1
InChIInChI=1S/C11H19N5/c1-7(9-5-10(9)8-3-4-8)12-6-11-13-15-16(2)14-11/h7-10,12H,3-6H2,1-2H3/t7?,9-,10-/m0/s1
InChIKeyNAUGDKHLFSKWTG-IVNRZZHDSA-N
XLogP0.73
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S)-2-cyclopropylcyclopropyl]-N-[(2-methyltetrazol-5-yl)methyl]ethanamine?
The IUPAC name of 1-[(1R,2S)-2-cyclopropylcyclopropyl]-N-[(2-methyltetrazol-5-yl)methyl]ethanamine (CID 126822572) is 1-[(1R,2S)-2-cyclopropylcyclopropyl]-N-[(2-methyltetrazol-5-yl)methyl]ethanamine.
What is the SMILES notation for 1-[(1R,2S)-2-cyclopropylcyclopropyl]-N-[(2-methyltetrazol-5-yl)methyl]ethanamine?
The canonical SMILES for 1-[(1R,2S)-2-cyclopropylcyclopropyl]-N-[(2-methyltetrazol-5-yl)methyl]ethanamine is CC(NCc1nnn(C)n1)[C@@H]1C[C@H]1C1CC1.
What is the InChIKey of 1-[(1R,2S)-2-cyclopropylcyclopropyl]-N-[(2-methyltetrazol-5-yl)methyl]ethanamine?
The InChIKey is NAUGDKHLFSKWTG-IVNRZZHDSA-N. The full InChI is InChI=1S/C11H19N5/c1-7(9-5-10(9)8-3-4-8)12-6-11-13-15-16(2)14-11/h7-10,12H,3-6H2,1-2H3/t7?,9-,10-/m0/s1.
What are the key properties of 1-[(1R,2S)-2-cyclopropylcyclopropyl]-N-[(2-methyltetrazol-5-yl)methyl]ethanamine?
1-[(1R,2S)-2-cyclopropylcyclopropyl]-N-[(2-methyltetrazol-5-yl)methyl]ethanamine has a molecular weight of 221.31 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2S)-2-cyclopropylcyclopropyl]-N-[(2-methyltetrazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 126822572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).