2-methyl-N-[3-(oxan-4-yl)prop-2-enyl]propan-2-amine

C12H23NO — CID 79346759

IUPAC2-methyl-N-[3-(oxan-4-yl)prop-2-enyl]propan-2-amine
SMILESCC(C)(C)NCC=CC1CCOCC1
InChIInChI=1S/C12H23NO/c1-12(2,3)13-8-4-5-11-6-9-14-10-7-11/h4-5,11,13H,6-10H2,1-3H3
InChIKeyNZUWIKBVRIGLDJ-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.36
Rot. Bonds3

About 2-methyl-N-[3-(oxan-4-yl)prop-2-enyl]propan-2-amine

2-methyl-N-[3-(oxan-4-yl)prop-2-enyl]propan-2-amine (PubChem CID 79346759) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-methyl-N-[3-(oxan-4-yl)prop-2-enyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[3-(oxan-4-yl)prop-2-enyl]propan-2-amine
PubChem CID79346759
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-methyl-N-[3-(oxan-4-yl)prop-2-enyl]propan-2-amine
SMILESCC(C)(C)NCC=CC1CCOCC1
InChIInChI=1S/C12H23NO/c1-12(2,3)13-8-4-5-11-6-9-14-10-7-11/h4-5,11,13H,6-10H2,1-3H3
InChIKeyNZUWIKBVRIGLDJ-UHFFFAOYSA-N
XLogP2.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.36
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-[3-(oxan-4-yl)prop-2-enyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[3-(oxan-4-yl)prop-2-enyl]propan-2-amine (CID 79346759) is 2-methyl-N-[3-(oxan-4-yl)prop-2-enyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[3-(oxan-4-yl)prop-2-enyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[3-(oxan-4-yl)prop-2-enyl]propan-2-amine is CC(C)(C)NCC=CC1CCOCC1.
What is the InChIKey of 2-methyl-N-[3-(oxan-4-yl)prop-2-enyl]propan-2-amine?
The InChIKey is NZUWIKBVRIGLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-12(2,3)13-8-4-5-11-6-9-14-10-7-11/h4-5,11,13H,6-10H2,1-3H3.
What are the key properties of 2-methyl-N-[3-(oxan-4-yl)prop-2-enyl]propan-2-amine?
2-methyl-N-[3-(oxan-4-yl)prop-2-enyl]propan-2-amine has a molecular weight of 197.32 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(oxan-4-yl)prop-2-enyl]propan-2-amine is sourced from PubChem (CID 79346759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).