2-methyl-N-(2-methylpropyl)-3-(oxan-4-yl)prop-2-en-1-amine

C13H25NO — CID 79337579

IUPAC2-methyl-N-(2-methylpropyl)-3-(oxan-4-yl)prop-2-en-1-amine
SMILESCC(=CC1CCOCC1)CNCC(C)C
InChIInChI=1S/C13H25NO/c1-11(2)9-14-10-12(3)8-13-4-6-15-7-5-13/h8,11,13-14H,4-7,9-10H2,1-3H3
InChIKeyINIPISQZAOQRQF-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.60
Rot. Bonds5

About 2-methyl-N-(2-methylpropyl)-3-(oxan-4-yl)prop-2-en-1-amine

2-methyl-N-(2-methylpropyl)-3-(oxan-4-yl)prop-2-en-1-amine (PubChem CID 79337579) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-methyl-N-(2-methylpropyl)-3-(oxan-4-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name2-methyl-N-(2-methylpropyl)-3-(oxan-4-yl)prop-2-en-1-amine
PubChem CID79337579
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name2-methyl-N-(2-methylpropyl)-3-(oxan-4-yl)prop-2-en-1-amine
SMILESCC(=CC1CCOCC1)CNCC(C)C
InChIInChI=1S/C13H25NO/c1-11(2)9-14-10-12(3)8-13-4-6-15-7-5-13/h8,11,13-14H,4-7,9-10H2,1-3H3
InChIKeyINIPISQZAOQRQF-UHFFFAOYSA-N
XLogP2.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.60
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 2-methyl-N-(2-methylpropyl)-3-(oxan-4-yl)prop-2-en-1-amine?
The IUPAC name of 2-methyl-N-(2-methylpropyl)-3-(oxan-4-yl)prop-2-en-1-amine (CID 79337579) is 2-methyl-N-(2-methylpropyl)-3-(oxan-4-yl)prop-2-en-1-amine.
What is the SMILES notation for 2-methyl-N-(2-methylpropyl)-3-(oxan-4-yl)prop-2-en-1-amine?
The canonical SMILES for 2-methyl-N-(2-methylpropyl)-3-(oxan-4-yl)prop-2-en-1-amine is CC(=CC1CCOCC1)CNCC(C)C.
What is the InChIKey of 2-methyl-N-(2-methylpropyl)-3-(oxan-4-yl)prop-2-en-1-amine?
The InChIKey is INIPISQZAOQRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-11(2)9-14-10-12(3)8-13-4-6-15-7-5-13/h8,11,13-14H,4-7,9-10H2,1-3H3.
What are the key properties of 2-methyl-N-(2-methylpropyl)-3-(oxan-4-yl)prop-2-en-1-amine?
2-methyl-N-(2-methylpropyl)-3-(oxan-4-yl)prop-2-en-1-amine has a molecular weight of 211.35 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylpropyl)-3-(oxan-4-yl)prop-2-en-1-amine is sourced from PubChem (CID 79337579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).