N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine

C12H22N2O — CID 62262203

IUPACN-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(CC=C)CC1(CN)CCOC1
InChIInChI=1S/C12H22N2O/c1-3-6-14(7-4-2)10-12(9-13)5-8-15-11-12/h3-4H,1-2,5-11,13H2
InChIKeyLXVRLRPTLOIJTQ-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.03
Rot. Bonds7

About N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine

N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine (PubChem CID 62262203) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
PubChem CID62262203
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(CC=C)CC1(CN)CCOC1
InChIInChI=1S/C12H22N2O/c1-3-6-14(7-4-2)10-12(9-13)5-8-15-11-12/h3-4H,1-2,5-11,13H2
InChIKeyLXVRLRPTLOIJTQ-UHFFFAOYSA-N
XLogP1.03
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine?
The IUPAC name of N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine (CID 62262203) is N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine.
What is the SMILES notation for N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine?
The canonical SMILES for N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine is C=CCN(CC=C)CC1(CN)CCOC1.
What is the InChIKey of N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine?
The InChIKey is LXVRLRPTLOIJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-3-6-14(7-4-2)10-12(9-13)5-8-15-11-12/h3-4H,1-2,5-11,13H2.
What are the key properties of N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine?
N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine has a molecular weight of 210.32 g/mol, XLogP of 1.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine is sourced from PubChem (CID 62262203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).