cyclopropylmethyl-[(1S)-1-phenylethyl]azanium

C12H18N+ — CID 7241456

IUPACcyclopropylmethyl-[(1S)-1-phenylethyl]azanium
SMILESC[C@H]([NH2+]CC1CC1)c1ccccc1
InChIInChI=1S/C12H17N/c1-10(13-9-11-7-8-11)12-5-3-2-4-6-12/h2-6,10-11,13H,7-9H2,1H3/p+1/t10-/m0/s1
InChIKeyDBZLFDOJZXGGBF-JTQLQIEISA-O
MW176.28 g/mol
LogP1.72
Rot. Bonds4

About cyclopropylmethyl-[(1S)-1-phenylethyl]azanium

cyclopropylmethyl-[(1S)-1-phenylethyl]azanium (PubChem CID 7241456) has the molecular formula C12H18N+ and a molecular weight of 176.28 g/mol. Its IUPAC name is cyclopropylmethyl-[(1S)-1-phenylethyl]azanium.

Molecular Properties

Compound Namecyclopropylmethyl-[(1S)-1-phenylethyl]azanium
PubChem CID7241456
Molecular FormulaC12H18N+
Molecular Weight176.28 g/mol
Exact Mass176.14
IUPAC Namecyclopropylmethyl-[(1S)-1-phenylethyl]azanium
SMILESC[C@H]([NH2+]CC1CC1)c1ccccc1
InChIInChI=1S/C12H17N/c1-10(13-9-11-7-8-11)12-5-3-2-4-6-12/h2-6,10-11,13H,7-9H2,1H3/p+1/t10-/m0/s1
InChIKeyDBZLFDOJZXGGBF-JTQLQIEISA-O
XLogP1.72
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.28
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl-[(1S)-1-phenylethyl]azanium?
The IUPAC name of cyclopropylmethyl-[(1S)-1-phenylethyl]azanium (CID 7241456) is cyclopropylmethyl-[(1S)-1-phenylethyl]azanium.
What is the SMILES notation for cyclopropylmethyl-[(1S)-1-phenylethyl]azanium?
The canonical SMILES for cyclopropylmethyl-[(1S)-1-phenylethyl]azanium is C[C@H]([NH2+]CC1CC1)c1ccccc1.
What is the InChIKey of cyclopropylmethyl-[(1S)-1-phenylethyl]azanium?
The InChIKey is DBZLFDOJZXGGBF-JTQLQIEISA-O. The full InChI is InChI=1S/C12H17N/c1-10(13-9-11-7-8-11)12-5-3-2-4-6-12/h2-6,10-11,13H,7-9H2,1H3/p+1/t10-/m0/s1.
What are the key properties of cyclopropylmethyl-[(1S)-1-phenylethyl]azanium?
cyclopropylmethyl-[(1S)-1-phenylethyl]azanium has a molecular weight of 176.28 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl-[(1S)-1-phenylethyl]azanium is sourced from PubChem (CID 7241456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).