(E)-2-methyl-N-(2-methylpropyl)-3-(oxolan-2-yl)prop-2-en-1-amine

C12H23NO — CID 82838286

IUPAC(E)-2-methyl-N-(2-methylpropyl)-3-(oxolan-2-yl)prop-2-en-1-amine
SMILESC/C(=C\C1CCCO1)CNCC(C)C
InChIInChI=1S/C12H23NO/c1-10(2)8-13-9-11(3)7-12-5-4-6-14-12/h7,10,12-13H,4-6,8-9H2,1-3H3/b11-7+
InChIKeyXLFVSLQZJLDXTP-YRNVUSSQSA-N
MW197.32 g/mol
LogP2.36
Rot. Bonds5

About (E)-2-methyl-N-(2-methylpropyl)-3-(oxolan-2-yl)prop-2-en-1-amine

(E)-2-methyl-N-(2-methylpropyl)-3-(oxolan-2-yl)prop-2-en-1-amine (PubChem CID 82838286) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (E)-2-methyl-N-(2-methylpropyl)-3-(oxolan-2-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-2-methyl-N-(2-methylpropyl)-3-(oxolan-2-yl)prop-2-en-1-amine
PubChem CID82838286
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(E)-2-methyl-N-(2-methylpropyl)-3-(oxolan-2-yl)prop-2-en-1-amine
SMILESC/C(=C\C1CCCO1)CNCC(C)C
InChIInChI=1S/C12H23NO/c1-10(2)8-13-9-11(3)7-12-5-4-6-14-12/h7,10,12-13H,4-6,8-9H2,1-3H3/b11-7+
InChIKeyXLFVSLQZJLDXTP-YRNVUSSQSA-N
XLogP2.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-2-methyl-N-(2-methylpropyl)-3-(oxolan-2-yl)prop-2-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-N-methyl-2-[(2Z)-2-(oxolan-3-ylidene)ethyl]but-2-en-1-amine
CID 142987860
(3Z,8E)-7-methoxy-3-methyl-1-azacyclotetradeca-3,8-diene
CID 144515525
(7E,12Z)-9-methoxy-13-methyl-1-oxa-5-azacyclotetradeca-7,12-diene
CID 144515548
3-[(2E)-2-ethylidenepentoxy]-N-methylbutan-1-amine
CID 146300663
N-[[2-(ethoxymethyl)cyclopenta-1,4-dien-1-yl]methyl]ethanamine
CID 150497585
3-[(4-methyl-3,6-dihydro-2H-pyran-6-yl)methyl]-2,5-dihydro-1H-pyrrole
CID 167165142
ethane;4-ethyl-3,6-dihydro-2H-pyran;3-propan-2-yl-2,5-dihydro-1H-pyrrole
CID 178633124
(2Z)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)-N-(2-methylpropyl)butan-1-amine
CID 79328688
(E)-3-(3,4-dihydro-2H-pyran-2-yl)-2-methyl-N-propylprop-2-en-1-amine
CID 79340182
(E)-3-(3,4-dihydro-2H-pyran-2-yl)-N-ethyl-2-methylprop-2-en-1-amine
CID 79340790
(E)-3-(3,4-dihydro-2H-pyran-2-yl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
CID 79341384
N-[3-(3,4-dihydro-2H-pyran-2-yl)prop-2-enyl]-2-methylpropan-1-amine
CID 79348411

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-N-(2-methylpropyl)-3-(oxolan-2-yl)prop-2-en-1-amine?
The IUPAC name of (E)-2-methyl-N-(2-methylpropyl)-3-(oxolan-2-yl)prop-2-en-1-amine (CID 82838286) is (E)-2-methyl-N-(2-methylpropyl)-3-(oxolan-2-yl)prop-2-en-1-amine.
What is the SMILES notation for (E)-2-methyl-N-(2-methylpropyl)-3-(oxolan-2-yl)prop-2-en-1-amine?
The canonical SMILES for (E)-2-methyl-N-(2-methylpropyl)-3-(oxolan-2-yl)prop-2-en-1-amine is C/C(=C\C1CCCO1)CNCC(C)C.
What is the InChIKey of (E)-2-methyl-N-(2-methylpropyl)-3-(oxolan-2-yl)prop-2-en-1-amine?
The InChIKey is XLFVSLQZJLDXTP-YRNVUSSQSA-N. The full InChI is InChI=1S/C12H23NO/c1-10(2)8-13-9-11(3)7-12-5-4-6-14-12/h7,10,12-13H,4-6,8-9H2,1-3H3/b11-7+.
What are the key properties of (E)-2-methyl-N-(2-methylpropyl)-3-(oxolan-2-yl)prop-2-en-1-amine?
(E)-2-methyl-N-(2-methylpropyl)-3-(oxolan-2-yl)prop-2-en-1-amine has a molecular weight of 197.32 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-N-(2-methylpropyl)-3-(oxolan-2-yl)prop-2-en-1-amine is sourced from PubChem (CID 82838286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).