3-methyl-4-(5-methyloxolan-2-yl)but-3-en-2-amine

C10H19NO — CID 103091941

IUPAC3-methyl-4-(5-methyloxolan-2-yl)but-3-en-2-amine
SMILESCC(=CC1CCC(C)O1)C(C)N
InChIInChI=1S/C10H19NO/c1-7(9(3)11)6-10-5-4-8(2)12-10/h6,8-10H,4-5,11H2,1-3H3
InChIKeyXJPBCQNYDUGESM-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.85
Rot. Bonds2

About 3-methyl-4-(5-methyloxolan-2-yl)but-3-en-2-amine

3-methyl-4-(5-methyloxolan-2-yl)but-3-en-2-amine (PubChem CID 103091941) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-methyl-4-(5-methyloxolan-2-yl)but-3-en-2-amine.

Molecular Properties

Compound Name3-methyl-4-(5-methyloxolan-2-yl)but-3-en-2-amine
PubChem CID103091941
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3-methyl-4-(5-methyloxolan-2-yl)but-3-en-2-amine
SMILESCC(=CC1CCC(C)O1)C(C)N
InChIInChI=1S/C10H19NO/c1-7(9(3)11)6-10-5-4-8(2)12-10/h6,8-10H,4-5,11H2,1-3H3
InChIKeyXJPBCQNYDUGESM-UHFFFAOYSA-N
XLogP1.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.85
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

4-Cyclopentyloxy-2,3-dimethylcyclohexa-2,4-dien-1-amine
CID 71040283
2,3-Dimethyl-4-(oxolan-2-yl)cyclohexa-2,4-dien-1-amine
CID 89073822
4-Cyclopentyloxy-2-methylcyclohexa-2,4-dien-1-amine
CID 89073833
(E)-6-(oxolan-2-yl)oct-5-en-3-amine
CID 89074037
4-Cyclopentyloxy-2-methylcyclohex-2-en-1-amine
CID 89154099
ethane;3-ethenyl-4-prop-2-enoxy-2-[(Z)-prop-1-enyl]cyclopent-2-en-1-amine
CID 143411990
3-Methyl-5-pentan-3-yloxycyclohex-3-en-1-amine
CID 145594625
(Z)-4-(1-methoxyethyl)hex-4-en-2-amine
CID 163745738
[5-(Aminomethyl)-4-ethoxyoct-5-en-2-yl]azanium
CID 164107349
(Z)-5-butan-2-yloxy-4-methylpent-3-en-2-amine
CID 166812725
3-(Propan-2-yloxymethyl)cyclohex-2-en-1-amine
CID 79568783
3-(Ethoxymethyl)cyclopent-2-en-1-amine
CID 79569255

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(5-methyloxolan-2-yl)but-3-en-2-amine?
The IUPAC name of 3-methyl-4-(5-methyloxolan-2-yl)but-3-en-2-amine (CID 103091941) is 3-methyl-4-(5-methyloxolan-2-yl)but-3-en-2-amine.
What is the SMILES notation for 3-methyl-4-(5-methyloxolan-2-yl)but-3-en-2-amine?
The canonical SMILES for 3-methyl-4-(5-methyloxolan-2-yl)but-3-en-2-amine is CC(=CC1CCC(C)O1)C(C)N.
What is the InChIKey of 3-methyl-4-(5-methyloxolan-2-yl)but-3-en-2-amine?
The InChIKey is XJPBCQNYDUGESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-7(9(3)11)6-10-5-4-8(2)12-10/h6,8-10H,4-5,11H2,1-3H3.
What are the key properties of 3-methyl-4-(5-methyloxolan-2-yl)but-3-en-2-amine?
3-methyl-4-(5-methyloxolan-2-yl)but-3-en-2-amine has a molecular weight of 169.27 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(5-methyloxolan-2-yl)but-3-en-2-amine is sourced from PubChem (CID 103091941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).