N,N-dimethyl-1-[2-methyl-3-(oxolan-2-yl)prop-2-enoxy]methanamine

C11H21NO2 — CID 138510746

IUPACN,N-dimethyl-1-[2-methyl-3-(oxolan-2-yl)prop-2-enoxy]methanamine
SMILESCC(=CC1CCCO1)COCN(C)C
InChIInChI=1S/C11H21NO2/c1-10(8-13-9-12(2)3)7-11-5-4-6-14-11/h7,11H,4-6,8-9H2,1-3H3
InChIKeyPDDIHWZYMRGCAS-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.65
Rot. Bonds5

About N,N-dimethyl-1-[2-methyl-3-(oxolan-2-yl)prop-2-enoxy]methanamine

N,N-dimethyl-1-[2-methyl-3-(oxolan-2-yl)prop-2-enoxy]methanamine (PubChem CID 138510746) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is N,N-dimethyl-1-[2-methyl-3-(oxolan-2-yl)prop-2-enoxy]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[2-methyl-3-(oxolan-2-yl)prop-2-enoxy]methanamine
PubChem CID138510746
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC NameN,N-dimethyl-1-[2-methyl-3-(oxolan-2-yl)prop-2-enoxy]methanamine
SMILESCC(=CC1CCCO1)COCN(C)C
InChIInChI=1S/C11H21NO2/c1-10(8-13-9-12(2)3)7-11-5-4-6-14-11/h7,11H,4-6,8-9H2,1-3H3
InChIKeyPDDIHWZYMRGCAS-UHFFFAOYSA-N
XLogP1.65
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[2-methyl-3-(oxolan-2-yl)prop-2-enoxy]methanamine?
The IUPAC name of N,N-dimethyl-1-[2-methyl-3-(oxolan-2-yl)prop-2-enoxy]methanamine (CID 138510746) is N,N-dimethyl-1-[2-methyl-3-(oxolan-2-yl)prop-2-enoxy]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[2-methyl-3-(oxolan-2-yl)prop-2-enoxy]methanamine?
The canonical SMILES for N,N-dimethyl-1-[2-methyl-3-(oxolan-2-yl)prop-2-enoxy]methanamine is CC(=CC1CCCO1)COCN(C)C.
What is the InChIKey of N,N-dimethyl-1-[2-methyl-3-(oxolan-2-yl)prop-2-enoxy]methanamine?
The InChIKey is PDDIHWZYMRGCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-10(8-13-9-12(2)3)7-11-5-4-6-14-11/h7,11H,4-6,8-9H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[2-methyl-3-(oxolan-2-yl)prop-2-enoxy]methanamine?
N,N-dimethyl-1-[2-methyl-3-(oxolan-2-yl)prop-2-enoxy]methanamine has a molecular weight of 199.29 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[2-methyl-3-(oxolan-2-yl)prop-2-enoxy]methanamine is sourced from PubChem (CID 138510746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).