4-[[bis(prop-2-enyl)amino]methyl]-4-methyloxolan-3-amine

C12H22N2O — CID 66262644

IUPAC4-[[bis(prop-2-enyl)amino]methyl]-4-methyloxolan-3-amine
SMILESC=CCN(CC=C)CC1(C)COCC1N
InChIInChI=1S/C12H22N2O/c1-4-6-14(7-5-2)9-12(3)10-15-8-11(12)13/h4-5,11H,1-2,6-10,13H2,3H3
InChIKeyBZLRDVZWFYNSBF-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.02
Rot. Bonds6

About 4-[[bis(prop-2-enyl)amino]methyl]-4-methyloxolan-3-amine

4-[[bis(prop-2-enyl)amino]methyl]-4-methyloxolan-3-amine (PubChem CID 66262644) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 4-[[bis(prop-2-enyl)amino]methyl]-4-methyloxolan-3-amine.

Molecular Properties

Compound Name4-[[bis(prop-2-enyl)amino]methyl]-4-methyloxolan-3-amine
PubChem CID66262644
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name4-[[bis(prop-2-enyl)amino]methyl]-4-methyloxolan-3-amine
SMILESC=CCN(CC=C)CC1(C)COCC1N
InChIInChI=1S/C12H22N2O/c1-4-6-14(7-5-2)9-12(3)10-15-8-11(12)13/h4-5,11H,1-2,6-10,13H2,3H3
InChIKeyBZLRDVZWFYNSBF-UHFFFAOYSA-N
XLogP1.02
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.02
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-[[3-[[bis(prop-2-enyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine
CID 55052016
N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
CID 62262203
N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
CID 62262394
N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
CID 62262395
N-[[3-[[bis(prop-2-enyl)amino]methyl]oxolan-3-yl]methyl]propan-1-amine
CID 62262396
N-[[3-[[bis(prop-2-enyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine
CID 62262397
N-[[3-[[bis(prop-2-enyl)amino]methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 62262398
N-[[3-[[bis(prop-2-enyl)amino]methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 62262399
4-[[3,3-Dimethylbutan-2-yl(methyl)amino]methyl]oxolan-3-amine
CID 66236321
4-[[Ethyl(2-methylprop-2-enyl)amino]methyl]oxolan-3-amine
CID 66237522
4-[[Bis(prop-2-enyl)amino]methyl]oxolan-3-amine
CID 66237924
4-[[ethyl(2-methylprop-2-enyl)amino]methyl]-N-methyloxolan-3-amine
CID 66246557

Frequently Asked Questions

What is the IUPAC name of 4-[[bis(prop-2-enyl)amino]methyl]-4-methyloxolan-3-amine?
The IUPAC name of 4-[[bis(prop-2-enyl)amino]methyl]-4-methyloxolan-3-amine (CID 66262644) is 4-[[bis(prop-2-enyl)amino]methyl]-4-methyloxolan-3-amine.
What is the SMILES notation for 4-[[bis(prop-2-enyl)amino]methyl]-4-methyloxolan-3-amine?
The canonical SMILES for 4-[[bis(prop-2-enyl)amino]methyl]-4-methyloxolan-3-amine is C=CCN(CC=C)CC1(C)COCC1N.
What is the InChIKey of 4-[[bis(prop-2-enyl)amino]methyl]-4-methyloxolan-3-amine?
The InChIKey is BZLRDVZWFYNSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-4-6-14(7-5-2)9-12(3)10-15-8-11(12)13/h4-5,11H,1-2,6-10,13H2,3H3.
What are the key properties of 4-[[bis(prop-2-enyl)amino]methyl]-4-methyloxolan-3-amine?
4-[[bis(prop-2-enyl)amino]methyl]-4-methyloxolan-3-amine has a molecular weight of 210.32 g/mol, XLogP of 1.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[bis(prop-2-enyl)amino]methyl]-4-methyloxolan-3-amine is sourced from PubChem (CID 66262644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).