(2Z)-3-methyl-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine

C11H21NO — CID 82838629

IUPAC(2Z)-3-methyl-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine
SMILESCC1CCC(/C=C(\CN)C(C)C)O1
InChIInChI=1S/C11H21NO/c1-8(2)10(7-12)6-11-5-4-9(3)13-11/h6,8-9,11H,4-5,7,12H2,1-3H3/b10-6+
InChIKeyLWPGJLGSXQBVHJ-UXBLZVDNSA-N
MW183.29 g/mol
LogP2.10
Rot. Bonds3

About (2Z)-3-methyl-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine

(2Z)-3-methyl-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine (PubChem CID 82838629) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (2Z)-3-methyl-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine.

Molecular Properties

Compound Name(2Z)-3-methyl-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine
PubChem CID82838629
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(2Z)-3-methyl-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine
SMILESCC1CCC(/C=C(\CN)C(C)C)O1
InChIInChI=1S/C11H21NO/c1-8(2)10(7-12)6-11-5-4-9(3)13-11/h6,8-9,11H,4-5,7,12H2,1-3H3/b10-6+
InChIKeyLWPGJLGSXQBVHJ-UXBLZVDNSA-N
XLogP2.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.10
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 (2Z)-3-methyl-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine?
The IUPAC name of (2Z)-3-methyl-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine (CID 82838629) is (2Z)-3-methyl-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine.
What is the SMILES notation for (2Z)-3-methyl-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine?
The canonical SMILES for (2Z)-3-methyl-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine is CC1CCC(/C=C(\CN)C(C)C)O1.
What is the InChIKey of (2Z)-3-methyl-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine?
The InChIKey is LWPGJLGSXQBVHJ-UXBLZVDNSA-N. The full InChI is InChI=1S/C11H21NO/c1-8(2)10(7-12)6-11-5-4-9(3)13-11/h6,8-9,11H,4-5,7,12H2,1-3H3/b10-6+.
What are the key properties of (2Z)-3-methyl-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine?
(2Z)-3-methyl-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine has a molecular weight of 183.29 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-methyl-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine is sourced from PubChem (CID 82838629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).