N,3-dimethyl-1-(oxolan-2-yl)but-3-en-2-amine

C10H19NO — CID 79189413

IUPACN,3-dimethyl-1-(oxolan-2-yl)but-3-en-2-amine
SMILESC=C(C)C(CC1CCCO1)NC
InChIInChI=1S/C10H19NO/c1-8(2)10(11-3)7-9-5-4-6-12-9/h9-11H,1,4-7H2,2-3H3
InChIKeyQPTCMYHMQMHSGA-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.72
Rot. Bonds4

About N,3-dimethyl-1-(oxolan-2-yl)but-3-en-2-amine

N,3-dimethyl-1-(oxolan-2-yl)but-3-en-2-amine (PubChem CID 79189413) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is N,3-dimethyl-1-(oxolan-2-yl)but-3-en-2-amine.

Molecular Properties

Compound NameN,3-dimethyl-1-(oxolan-2-yl)but-3-en-2-amine
PubChem CID79189413
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC NameN,3-dimethyl-1-(oxolan-2-yl)but-3-en-2-amine
SMILESC=C(C)C(CC1CCCO1)NC
InChIInChI=1S/C10H19NO/c1-8(2)10(11-3)7-9-5-4-6-12-9/h9-11H,1,4-7H2,2-3H3
InChIKeyQPTCMYHMQMHSGA-UHFFFAOYSA-N
XLogP1.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.72
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 N,3-dimethyl-1-(oxolan-2-yl)but-3-en-2-amine?
The IUPAC name of N,3-dimethyl-1-(oxolan-2-yl)but-3-en-2-amine (CID 79189413) is N,3-dimethyl-1-(oxolan-2-yl)but-3-en-2-amine.
What is the SMILES notation for N,3-dimethyl-1-(oxolan-2-yl)but-3-en-2-amine?
The canonical SMILES for N,3-dimethyl-1-(oxolan-2-yl)but-3-en-2-amine is C=C(C)C(CC1CCCO1)NC.
What is the InChIKey of N,3-dimethyl-1-(oxolan-2-yl)but-3-en-2-amine?
The InChIKey is QPTCMYHMQMHSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-8(2)10(11-3)7-9-5-4-6-12-9/h9-11H,1,4-7H2,2-3H3.
What are the key properties of N,3-dimethyl-1-(oxolan-2-yl)but-3-en-2-amine?
N,3-dimethyl-1-(oxolan-2-yl)but-3-en-2-amine has a molecular weight of 169.27 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-1-(oxolan-2-yl)but-3-en-2-amine is sourced from PubChem (CID 79189413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).