N-(2-methyloxolan-3-yl)-1-prop-2-enylpiperidin-4-amine

C13H24N2O — CID 115751312

IUPACN-(2-methyloxolan-3-yl)-1-prop-2-enylpiperidin-4-amine
SMILESC=CCN1CCC(NC2CCOC2C)CC1
InChIInChI=1S/C13H24N2O/c1-3-7-15-8-4-12(5-9-15)14-13-6-10-16-11(13)2/h3,11-14H,1,4-10H2,2H3
InChIKeyMVLHDMYDKYQLPR-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.40
Rot. Bonds4

About N-(2-methyloxolan-3-yl)-1-prop-2-enylpiperidin-4-amine

N-(2-methyloxolan-3-yl)-1-prop-2-enylpiperidin-4-amine (PubChem CID 115751312) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N-(2-methyloxolan-3-yl)-1-prop-2-enylpiperidin-4-amine.

Molecular Properties

Compound NameN-(2-methyloxolan-3-yl)-1-prop-2-enylpiperidin-4-amine
PubChem CID115751312
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN-(2-methyloxolan-3-yl)-1-prop-2-enylpiperidin-4-amine
SMILESC=CCN1CCC(NC2CCOC2C)CC1
InChIInChI=1S/C13H24N2O/c1-3-7-15-8-4-12(5-9-15)14-13-6-10-16-11(13)2/h3,11-14H,1,4-10H2,2H3
InChIKeyMVLHDMYDKYQLPR-UHFFFAOYSA-N
XLogP1.40
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.40
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

1-morpholin-2-yl-N-prop-2-enylpropan-1-amine
CID 66900346
4-Pentoxy-1-prop-2-enylpyrrolidin-3-amine
CID 68294569
N-methyl-3-morpholin-2-yl-N-prop-2-enylpropan-1-amine
CID 141886157
N-methyl-1-[4-[(2-methyloxolan-3-yl)amino]butan-2-yl]piperidin-4-amine
CID 156126828
N-[(3R)-oxolan-3-yl]-1-prop-1-en-2-ylpiperidin-4-amine
CID 178157062
1-(3-methylbut-2-enyl)-N-(oxolan-2-ylmethyl)piperidin-4-amine
CID 43765468
N-[[5-[[bis(prop-2-enyl)amino]methyl]oxolan-2-yl]methyl]propan-2-amine
CID 55070301
N-prop-2-enyl-2-(3-propoxypiperidin-1-yl)propan-1-amine
CID 55087816
2-N-ethyl-2-N-(oxolan-2-ylmethyl)-1-N-prop-2-enylpropane-1,2-diamine
CID 62567969
2-(3-ethoxypiperidin-1-yl)-N-prop-2-enylpropan-1-amine
CID 62568212
2-N-methyl-2-N-(oxolan-2-ylmethyl)-1-N-prop-2-enylpropane-1,2-diamine
CID 62568345
2-N-methyl-2-N-(oxan-2-ylmethyl)-1-N-prop-2-enylpropane-1,2-diamine
CID 62569582

Frequently Asked Questions

What is the IUPAC name of N-(2-methyloxolan-3-yl)-1-prop-2-enylpiperidin-4-amine?
The IUPAC name of N-(2-methyloxolan-3-yl)-1-prop-2-enylpiperidin-4-amine (CID 115751312) is N-(2-methyloxolan-3-yl)-1-prop-2-enylpiperidin-4-amine.
What is the SMILES notation for N-(2-methyloxolan-3-yl)-1-prop-2-enylpiperidin-4-amine?
The canonical SMILES for N-(2-methyloxolan-3-yl)-1-prop-2-enylpiperidin-4-amine is C=CCN1CCC(NC2CCOC2C)CC1.
What is the InChIKey of N-(2-methyloxolan-3-yl)-1-prop-2-enylpiperidin-4-amine?
The InChIKey is MVLHDMYDKYQLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-3-7-15-8-4-12(5-9-15)14-13-6-10-16-11(13)2/h3,11-14H,1,4-10H2,2H3.
What are the key properties of N-(2-methyloxolan-3-yl)-1-prop-2-enylpiperidin-4-amine?
N-(2-methyloxolan-3-yl)-1-prop-2-enylpiperidin-4-amine has a molecular weight of 224.35 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyloxolan-3-yl)-1-prop-2-enylpiperidin-4-amine is sourced from PubChem (CID 115751312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).