N-[[5-(aminomethyl)oxolan-2-yl]methyl]-N-ethyl-2-methylprop-2-en-1-amine

C12H24N2O — CID 62419587

IUPACN-[[5-(aminomethyl)oxolan-2-yl]methyl]-N-ethyl-2-methylprop-2-en-1-amine
SMILESC=C(C)CN(CC)CC1CCC(CN)O1
InChIInChI=1S/C12H24N2O/c1-4-14(8-10(2)3)9-12-6-5-11(7-13)15-12/h11-12H,2,4-9,13H2,1,3H3
InChIKeyCJSCOQSIBMORLZ-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.39
Rot. Bonds6

About N-[[5-(aminomethyl)oxolan-2-yl]methyl]-N-ethyl-2-methylprop-2-en-1-amine

N-[[5-(aminomethyl)oxolan-2-yl]methyl]-N-ethyl-2-methylprop-2-en-1-amine (PubChem CID 62419587) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-[[5-(aminomethyl)oxolan-2-yl]methyl]-N-ethyl-2-methylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[[5-(aminomethyl)oxolan-2-yl]methyl]-N-ethyl-2-methylprop-2-en-1-amine
PubChem CID62419587
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-[[5-(aminomethyl)oxolan-2-yl]methyl]-N-ethyl-2-methylprop-2-en-1-amine
SMILESC=C(C)CN(CC)CC1CCC(CN)O1
InChIInChI=1S/C12H24N2O/c1-4-14(8-10(2)3)9-12-6-5-11(7-13)15-12/h11-12H,2,4-9,13H2,1,3H3
InChIKeyCJSCOQSIBMORLZ-UHFFFAOYSA-N
XLogP1.39
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-methyl-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]prop-2-en-1-amine
CID 62418405
N'-[[5-(aminomethyl)oxolan-2-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 62436892
N-[[5-(aminomethyl)oxolan-2-yl]methyl]-N-methylbutan-2-amine
CID 62419353
(2S,5R)-5-(aminomethyl)-N-[3-(diethylamino)propyl]oxolane-2-carboxamide
CID 120796832
N-[[(2S,5R)-5-(aminomethyl)oxolan-2-yl]methyl]-N-methylpropan-2-amine
CID 94435022
N-[[5-(aminomethyl)oxolan-2-yl]methyl]-N,2-dimethylbutan-2-amine
CID 63965016
1-[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-2-(diethylamino)ethanone
CID 120799860
N-[[5-(aminomethyl)oxolan-2-yl]methyl]-N-(2-methoxyethyl)prop-2-en-1-amine
CID 103339453
(2S,5R)-5-(aminomethyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methyloxolane-2-carboxamide;hydrochloride
CID 120784111
N-[[5-[[methyl(2-methylprop-2-enyl)amino]methyl]oxolan-2-yl]methyl]cyclopropanamine
CID 113498809
N,2-dimethyl-N-[[5-[(propan-2-ylamino)methyl]oxolan-2-yl]methyl]prop-2-en-1-amine
CID 113498784
N-[[5-(aminomethyl)thiophen-2-yl]methyl]-N-ethyl-2-methylprop-2-en-1-amine
CID 107555693

Frequently Asked Questions

What is the IUPAC name of N-[[5-(aminomethyl)oxolan-2-yl]methyl]-N-ethyl-2-methylprop-2-en-1-amine?
The IUPAC name of N-[[5-(aminomethyl)oxolan-2-yl]methyl]-N-ethyl-2-methylprop-2-en-1-amine (CID 62419587) is N-[[5-(aminomethyl)oxolan-2-yl]methyl]-N-ethyl-2-methylprop-2-en-1-amine.
What is the SMILES notation for N-[[5-(aminomethyl)oxolan-2-yl]methyl]-N-ethyl-2-methylprop-2-en-1-amine?
The canonical SMILES for N-[[5-(aminomethyl)oxolan-2-yl]methyl]-N-ethyl-2-methylprop-2-en-1-amine is C=C(C)CN(CC)CC1CCC(CN)O1.
What is the InChIKey of N-[[5-(aminomethyl)oxolan-2-yl]methyl]-N-ethyl-2-methylprop-2-en-1-amine?
The InChIKey is CJSCOQSIBMORLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-4-14(8-10(2)3)9-12-6-5-11(7-13)15-12/h11-12H,2,4-9,13H2,1,3H3.
What are the key properties of N-[[5-(aminomethyl)oxolan-2-yl]methyl]-N-ethyl-2-methylprop-2-en-1-amine?
N-[[5-(aminomethyl)oxolan-2-yl]methyl]-N-ethyl-2-methylprop-2-en-1-amine has a molecular weight of 212.34 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(aminomethyl)oxolan-2-yl]methyl]-N-ethyl-2-methylprop-2-en-1-amine is sourced from PubChem (CID 62419587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).