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

C11H21NO — CID 79348064

IUPAC2-methyl-N-[3-(oxolan-3-yl)prop-2-enyl]propan-2-amine
SMILESCC(C)(C)NCC=CC1CCOC1
InChIInChI=1S/C11H21NO/c1-11(2,3)12-7-4-5-10-6-8-13-9-10/h4-5,10,12H,6-9H2,1-3H3
InChIKeyNXKSYOPMANYWAQ-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.97
Rot. Bonds3

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

2-methyl-N-[3-(oxolan-3-yl)prop-2-enyl]propan-2-amine (PubChem CID 79348064) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2-methyl-N-[3-(oxolan-3-yl)prop-2-enyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[3-(oxolan-3-yl)prop-2-enyl]propan-2-amine
PubChem CID79348064
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2-methyl-N-[3-(oxolan-3-yl)prop-2-enyl]propan-2-amine
SMILESCC(C)(C)NCC=CC1CCOC1
InChIInChI=1S/C11H21NO/c1-11(2,3)12-7-4-5-10-6-8-13-9-10/h4-5,10,12H,6-9H2,1-3H3
InChIKeyNXKSYOPMANYWAQ-UHFFFAOYSA-N
XLogP1.97
TPSA21.26 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 ≤ 51.97
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-(oxolan-3-yl)prop-2-enyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[3-(oxolan-3-yl)prop-2-enyl]propan-2-amine (CID 79348064) is 2-methyl-N-[3-(oxolan-3-yl)prop-2-enyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[3-(oxolan-3-yl)prop-2-enyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[3-(oxolan-3-yl)prop-2-enyl]propan-2-amine is CC(C)(C)NCC=CC1CCOC1.
What is the InChIKey of 2-methyl-N-[3-(oxolan-3-yl)prop-2-enyl]propan-2-amine?
The InChIKey is NXKSYOPMANYWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-11(2,3)12-7-4-5-10-6-8-13-9-10/h4-5,10,12H,6-9H2,1-3H3.
What are the key properties of 2-methyl-N-[3-(oxolan-3-yl)prop-2-enyl]propan-2-amine?
2-methyl-N-[3-(oxolan-3-yl)prop-2-enyl]propan-2-amine has a molecular weight of 183.29 g/mol, XLogP of 1.97, 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-(oxolan-3-yl)prop-2-enyl]propan-2-amine is sourced from PubChem (CID 79348064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).