(2E)-3-methyl-2-(oxolan-3-ylmethylidene)butan-1-amine

C10H19NO — CID 79323519

IUPAC(2E)-3-methyl-2-(oxolan-3-ylmethylidene)butan-1-amine
SMILESCC(C)/C(=C\C1CCOC1)CN
InChIInChI=1S/C10H19NO/c1-8(2)10(6-11)5-9-3-4-12-7-9/h5,8-9H,3-4,6-7,11H2,1-2H3/b10-5-
InChIKeyMVACUXJPWOQGHC-YHYXMXQVSA-N
MW169.27 g/mol
LogP1.56
Rot. Bonds3

About (2E)-3-methyl-2-(oxolan-3-ylmethylidene)butan-1-amine

(2E)-3-methyl-2-(oxolan-3-ylmethylidene)butan-1-amine (PubChem CID 79323519) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (2E)-3-methyl-2-(oxolan-3-ylmethylidene)butan-1-amine.

Molecular Properties

Compound Name(2E)-3-methyl-2-(oxolan-3-ylmethylidene)butan-1-amine
PubChem CID79323519
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(2E)-3-methyl-2-(oxolan-3-ylmethylidene)butan-1-amine
SMILESCC(C)/C(=C\C1CCOC1)CN
InChIInChI=1S/C10H19NO/c1-8(2)10(6-11)5-9-3-4-12-7-9/h5,8-9H,3-4,6-7,11H2,1-2H3/b10-5-
InChIKeyMVACUXJPWOQGHC-YHYXMXQVSA-N
XLogP1.56
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,3-dimethyl-2-(oxolan-3-ylmethylidene)butan-1-amine
CID 115278117
4-[2-(bromomethyl)-3-methylbut-1-enyl]oxane
CID 79323809
2-methyl-3-(oxan-4-yl)prop-2-en-1-amine
CID 79330279
3-methyl-4-(oxolan-3-yl)-N-propylbut-3-en-2-amine
CID 103093573
3-[2-(bromomethyl)but-1-enyl]oxolane
CID 115278036
3-(3-methyl-2-nitrobut-1-enyl)oxane
CID 115347625
3-methyl-4-(oxan-3-yl)but-3-en-2-amine
CID 103091888
N-methyl-2-(oxolan-3-ylmethylidene)butan-1-amine
CID 115278072
(2Z)-N-ethyl-2-(oxolan-3-ylmethylidene)butan-1-amine
CID 79329656
ethane;oxolane-3-carbaldehyde
CID 142909173
[2-(chloromethyl)-3-methylbut-1-enyl]cyclopropane
CID 79334822
2-amino-N-[1-(oxolan-3-yl)ethyl]acetamide
CID 115734721

Frequently Asked Questions

What is the IUPAC name of (2E)-3-methyl-2-(oxolan-3-ylmethylidene)butan-1-amine?
The IUPAC name of (2E)-3-methyl-2-(oxolan-3-ylmethylidene)butan-1-amine (CID 79323519) is (2E)-3-methyl-2-(oxolan-3-ylmethylidene)butan-1-amine.
What is the SMILES notation for (2E)-3-methyl-2-(oxolan-3-ylmethylidene)butan-1-amine?
The canonical SMILES for (2E)-3-methyl-2-(oxolan-3-ylmethylidene)butan-1-amine is CC(C)/C(=C\C1CCOC1)CN.
What is the InChIKey of (2E)-3-methyl-2-(oxolan-3-ylmethylidene)butan-1-amine?
The InChIKey is MVACUXJPWOQGHC-YHYXMXQVSA-N. The full InChI is InChI=1S/C10H19NO/c1-8(2)10(6-11)5-9-3-4-12-7-9/h5,8-9H,3-4,6-7,11H2,1-2H3/b10-5-.
What are the key properties of (2E)-3-methyl-2-(oxolan-3-ylmethylidene)butan-1-amine?
(2E)-3-methyl-2-(oxolan-3-ylmethylidene)butan-1-amine has a molecular weight of 169.27 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3-methyl-2-(oxolan-3-ylmethylidene)butan-1-amine is sourced from PubChem (CID 79323519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).