N-(oxolan-2-ylmethyl)-N-prop-2-enylprop-2-en-1-amine

C11H19NO — CID 67976656

IUPACN-(oxolan-2-ylmethyl)-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(CC=C)CC1CCCO1
InChIInChI=1S/C11H19NO/c1-3-7-12(8-4-2)10-11-6-5-9-13-11/h3-4,11H,1-2,5-10H2
InChIKeyXAJUIPORHTWERN-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.84
Rot. Bonds6

About N-(oxolan-2-ylmethyl)-N-prop-2-enylprop-2-en-1-amine

N-(oxolan-2-ylmethyl)-N-prop-2-enylprop-2-en-1-amine (PubChem CID 67976656) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-N-prop-2-enylprop-2-en-1-amine.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-N-prop-2-enylprop-2-en-1-amine
PubChem CID67976656
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN-(oxolan-2-ylmethyl)-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(CC=C)CC1CCCO1
InChIInChI=1S/C11H19NO/c1-3-7-12(8-4-2)10-11-6-5-9-13-11/h3-4,11H,1-2,5-10H2
InChIKeyXAJUIPORHTWERN-UHFFFAOYSA-N
XLogP1.84
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.84
H-Bond Donors ≤ 50
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-(oxolan-2-ylmethyl)-N-prop-2-enylprop-2-en-1-amine?
The IUPAC name of N-(oxolan-2-ylmethyl)-N-prop-2-enylprop-2-en-1-amine (CID 67976656) is N-(oxolan-2-ylmethyl)-N-prop-2-enylprop-2-en-1-amine.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-N-prop-2-enylprop-2-en-1-amine?
The canonical SMILES for N-(oxolan-2-ylmethyl)-N-prop-2-enylprop-2-en-1-amine is C=CCN(CC=C)CC1CCCO1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-N-prop-2-enylprop-2-en-1-amine?
The InChIKey is XAJUIPORHTWERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-3-7-12(8-4-2)10-11-6-5-9-13-11/h3-4,11H,1-2,5-10H2.
What are the key properties of N-(oxolan-2-ylmethyl)-N-prop-2-enylprop-2-en-1-amine?
N-(oxolan-2-ylmethyl)-N-prop-2-enylprop-2-en-1-amine has a molecular weight of 181.28 g/mol, XLogP of 1.84, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-N-prop-2-enylprop-2-en-1-amine is sourced from PubChem (CID 67976656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).