(2E)-N-methyl-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine

C11H21NO — CID 82838797

IUPAC(2E)-N-methyl-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine
SMILESCC/C(=C\C1CCC(C)O1)CNC
InChIInChI=1S/C11H21NO/c1-4-10(8-12-3)7-11-6-5-9(2)13-11/h7,9,11-12H,4-6,8H2,1-3H3/b10-7+
InChIKeyDLCDMIPOVSBAAA-JXMROGBWSA-N
MW183.29 g/mol
LogP2.11
Rot. Bonds4

About (2E)-N-methyl-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine

(2E)-N-methyl-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine (PubChem CID 82838797) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (2E)-N-methyl-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine.

Molecular Properties

Compound Name(2E)-N-methyl-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine
PubChem CID82838797
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(2E)-N-methyl-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine
SMILESCC/C(=C\C1CCC(C)O1)CNC
InChIInChI=1S/C11H21NO/c1-4-10(8-12-3)7-11-6-5-9(2)13-11/h7,9,11-12H,4-6,8H2,1-3H3/b10-7+
InChIKeyDLCDMIPOVSBAAA-JXMROGBWSA-N
XLogP2.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-N-methyl-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine?
The IUPAC name of (2E)-N-methyl-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine (CID 82838797) is (2E)-N-methyl-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine.
What is the SMILES notation for (2E)-N-methyl-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine?
The canonical SMILES for (2E)-N-methyl-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine is CC/C(=C\C1CCC(C)O1)CNC.
What is the InChIKey of (2E)-N-methyl-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine?
The InChIKey is DLCDMIPOVSBAAA-JXMROGBWSA-N. The full InChI is InChI=1S/C11H21NO/c1-4-10(8-12-3)7-11-6-5-9(2)13-11/h7,9,11-12H,4-6,8H2,1-3H3/b10-7+.
What are the key properties of (2E)-N-methyl-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine?
(2E)-N-methyl-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine has a molecular weight of 183.29 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-methyl-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine is sourced from PubChem (CID 82838797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).