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

C11H21NO — CID 82838064

IUPAC(E)-2-methyl-3-(oxolan-2-yl)-N-propylprop-2-en-1-amine
SMILESCCCNC/C(C)=C/C1CCCO1
InChIInChI=1S/C11H21NO/c1-3-6-12-9-10(2)8-11-5-4-7-13-11/h8,11-12H,3-7,9H2,1-2H3/b10-8+
InChIKeyGNQSLPXAFIQYIP-CSKARUKUSA-N
MW183.29 g/mol
LogP2.11
Rot. Bonds5

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

(E)-2-methyl-3-(oxolan-2-yl)-N-propylprop-2-en-1-amine (PubChem CID 82838064) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (E)-2-methyl-3-(oxolan-2-yl)-N-propylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-2-methyl-3-(oxolan-2-yl)-N-propylprop-2-en-1-amine
PubChem CID82838064
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(E)-2-methyl-3-(oxolan-2-yl)-N-propylprop-2-en-1-amine
SMILESCCCNC/C(C)=C/C1CCCO1
InChIInChI=1S/C11H21NO/c1-3-6-12-9-10(2)8-11-5-4-7-13-11/h8,11-12H,3-7,9H2,1-2H3/b10-8+
InChIKeyGNQSLPXAFIQYIP-CSKARUKUSA-N
XLogP2.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-3-(oxolan-2-yl)-N-propylprop-2-en-1-amine?
The IUPAC name of (E)-2-methyl-3-(oxolan-2-yl)-N-propylprop-2-en-1-amine (CID 82838064) is (E)-2-methyl-3-(oxolan-2-yl)-N-propylprop-2-en-1-amine.
What is the SMILES notation for (E)-2-methyl-3-(oxolan-2-yl)-N-propylprop-2-en-1-amine?
The canonical SMILES for (E)-2-methyl-3-(oxolan-2-yl)-N-propylprop-2-en-1-amine is CCCNC/C(C)=C/C1CCCO1.
What is the InChIKey of (E)-2-methyl-3-(oxolan-2-yl)-N-propylprop-2-en-1-amine?
The InChIKey is GNQSLPXAFIQYIP-CSKARUKUSA-N. The full InChI is InChI=1S/C11H21NO/c1-3-6-12-9-10(2)8-11-5-4-7-13-11/h8,11-12H,3-7,9H2,1-2H3/b10-8+.
What are the key properties of (E)-2-methyl-3-(oxolan-2-yl)-N-propylprop-2-en-1-amine?
(E)-2-methyl-3-(oxolan-2-yl)-N-propylprop-2-en-1-amine has a molecular weight of 183.29 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-3-(oxolan-2-yl)-N-propylprop-2-en-1-amine is sourced from PubChem (CID 82838064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).