methanidyl-(1-methoxypropan-2-yl)-prop-2-enylazanium

C8H17NO — CID 155624816

IUPACmethanidyl-(1-methoxypropan-2-yl)-prop-2-enylazanium
SMILESC=CC[NH+]([CH2-])C(C)COC
InChIInChI=1S/C8H17NO/c1-5-6-9(3)8(2)7-10-4/h5,8-9H,1,3,6-7H2,2,4H3
InChIKeyQODDCFIBMIRSPL-UHFFFAOYSA-N
MW143.23 g/mol
LogP-0.12
Rot. Bonds5

About methanidyl-(1-methoxypropan-2-yl)-prop-2-enylazanium

methanidyl-(1-methoxypropan-2-yl)-prop-2-enylazanium (PubChem CID 155624816) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is methanidyl-(1-methoxypropan-2-yl)-prop-2-enylazanium.

Molecular Properties

Compound Namemethanidyl-(1-methoxypropan-2-yl)-prop-2-enylazanium
PubChem CID155624816
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Namemethanidyl-(1-methoxypropan-2-yl)-prop-2-enylazanium
SMILESC=CC[NH+]([CH2-])C(C)COC
InChIInChI=1S/C8H17NO/c1-5-6-9(3)8(2)7-10-4/h5,8-9H,1,3,6-7H2,2,4H3
InChIKeyQODDCFIBMIRSPL-UHFFFAOYSA-N
XLogP-0.12
TPSA13.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2-Methoxyethyl)(prop-2-en-1-yl)amine
CID 12238050
(1-Methoxypropan-2-yl)(prop-2-en-1-yl)amine hydrochloride
CID 122163976
(1-Methoxypropan-2-yl)(prop-2-en-1-yl)amine
CID 60688514
N-(2-ethoxyethyl)prop-2-en-1-amine
CID 12238053
Allyl-(1,1-dimethoxyprop-2-yl)amine
CID 19100951
N-(1-methoxypropan-2-yl)but-3-en-1-amine
CID 57591334
N-[2-(2-Ethoxyethoxy)ethyl]-2-propen-1-amine
CID 62565966
4-methylmorpholine;N-prop-2-enylprop-2-en-1-amine
CID 68543856
(E)-N'-(2-methoxyethyl)-N,N-dimethylprop-1-ene-1,3-diamine
CID 88690408
(E)-1-N'-[(2R)-1-methoxypropan-2-yl]-1-N-methylbut-2-ene-1,1-diamine
CID 90453891
(E)-N-(2-methoxyethyl)but-2-en-1-amine
CID 103608720
(2S)-1-methoxy-N-prop-2-enylpropan-2-amine
CID 124432996

Frequently Asked Questions

What is the IUPAC name of methanidyl-(1-methoxypropan-2-yl)-prop-2-enylazanium?
The IUPAC name of methanidyl-(1-methoxypropan-2-yl)-prop-2-enylazanium (CID 155624816) is methanidyl-(1-methoxypropan-2-yl)-prop-2-enylazanium.
What is the SMILES notation for methanidyl-(1-methoxypropan-2-yl)-prop-2-enylazanium?
The canonical SMILES for methanidyl-(1-methoxypropan-2-yl)-prop-2-enylazanium is C=CC[NH+]([CH2-])C(C)COC.
What is the InChIKey of methanidyl-(1-methoxypropan-2-yl)-prop-2-enylazanium?
The InChIKey is QODDCFIBMIRSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-5-6-9(3)8(2)7-10-4/h5,8-9H,1,3,6-7H2,2,4H3.
What are the key properties of methanidyl-(1-methoxypropan-2-yl)-prop-2-enylazanium?
methanidyl-(1-methoxypropan-2-yl)-prop-2-enylazanium has a molecular weight of 143.23 g/mol, XLogP of -0.12, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methanidyl-(1-methoxypropan-2-yl)-prop-2-enylazanium is sourced from PubChem (CID 155624816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).