amino-[[(1S)-cyclohex-3-en-1-yl]methyl]-methylazanium

C8H17N2+ — CID 163984762

IUPACamino-[[(1S)-cyclohex-3-en-1-yl]methyl]-methylazanium
SMILESC[NH+](N)C[C@@H]1CC=CCC1
InChIInChI=1S/C8H16N2/c1-10(9)7-8-5-3-2-4-6-8/h2-3,8H,4-7,9H2,1H3/p+1/t8-/m1/s1
InChIKeyTVHFMBZRAAGTDI-MRVPVSSYSA-O
MW141.24 g/mol
LogP-0.27
Rot. Bonds2

About amino-[[(1S)-cyclohex-3-en-1-yl]methyl]-methylazanium

amino-[[(1S)-cyclohex-3-en-1-yl]methyl]-methylazanium (PubChem CID 163984762) has the molecular formula C8H17N2+ and a molecular weight of 141.24 g/mol. Its IUPAC name is amino-[[(1S)-cyclohex-3-en-1-yl]methyl]-methylazanium.

Molecular Properties

Compound Nameamino-[[(1S)-cyclohex-3-en-1-yl]methyl]-methylazanium
PubChem CID163984762
Molecular FormulaC8H17N2+
Molecular Weight141.24 g/mol
Exact Mass141.14
IUPAC Nameamino-[[(1S)-cyclohex-3-en-1-yl]methyl]-methylazanium
SMILESC[NH+](N)C[C@@H]1CC=CCC1
InChIInChI=1S/C8H16N2/c1-10(9)7-8-5-3-2-4-6-8/h2-3,8H,4-7,9H2,1H3/p+1/t8-/m1/s1
InChIKeyTVHFMBZRAAGTDI-MRVPVSSYSA-O
XLogP-0.27
TPSA30.46 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.24
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of amino-[[(1S)-cyclohex-3-en-1-yl]methyl]-methylazanium?
The IUPAC name of amino-[[(1S)-cyclohex-3-en-1-yl]methyl]-methylazanium (CID 163984762) is amino-[[(1S)-cyclohex-3-en-1-yl]methyl]-methylazanium.
What is the SMILES notation for amino-[[(1S)-cyclohex-3-en-1-yl]methyl]-methylazanium?
The canonical SMILES for amino-[[(1S)-cyclohex-3-en-1-yl]methyl]-methylazanium is C[NH+](N)C[C@@H]1CC=CCC1.
What is the InChIKey of amino-[[(1S)-cyclohex-3-en-1-yl]methyl]-methylazanium?
The InChIKey is TVHFMBZRAAGTDI-MRVPVSSYSA-O. The full InChI is InChI=1S/C8H16N2/c1-10(9)7-8-5-3-2-4-6-8/h2-3,8H,4-7,9H2,1H3/p+1/t8-/m1/s1.
What are the key properties of amino-[[(1S)-cyclohex-3-en-1-yl]methyl]-methylazanium?
amino-[[(1S)-cyclohex-3-en-1-yl]methyl]-methylazanium has a molecular weight of 141.24 g/mol, XLogP of -0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for amino-[[(1S)-cyclohex-3-en-1-yl]methyl]-methylazanium is sourced from PubChem (CID 163984762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).