[1-[2-(propylaminomethyl)prop-2-enyl]pyrrolidin-2-yl]methanol

C12H24N2O — CID 103069579

IUPAC[1-[2-(propylaminomethyl)prop-2-enyl]pyrrolidin-2-yl]methanol
SMILESC=C(CNCCC)CN1CCCC1CO
InChIInChI=1S/C12H24N2O/c1-3-6-13-8-11(2)9-14-7-4-5-12(14)10-15/h12-13,15H,2-10H2,1H3
InChIKeyIHFGNYAOHIOSEC-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.00
Rot. Bonds7

About [1-[2-(propylaminomethyl)prop-2-enyl]pyrrolidin-2-yl]methanol

[1-[2-(propylaminomethyl)prop-2-enyl]pyrrolidin-2-yl]methanol (PubChem CID 103069579) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is [1-[2-(propylaminomethyl)prop-2-enyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[2-(propylaminomethyl)prop-2-enyl]pyrrolidin-2-yl]methanol
PubChem CID103069579
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name[1-[2-(propylaminomethyl)prop-2-enyl]pyrrolidin-2-yl]methanol
SMILESC=C(CNCCC)CN1CCCC1CO
InChIInChI=1S/C12H24N2O/c1-3-6-13-8-11(2)9-14-7-4-5-12(14)10-15/h12-13,15H,2-10H2,1H3
InChIKeyIHFGNYAOHIOSEC-UHFFFAOYSA-N
XLogP1.00
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-1-(2-methylidenebutyl)pyrrolidin-2-yl]methanol
CID 66261614
[1-[2-(methylaminomethyl)prop-2-enyl]azepan-2-yl]methanol
CID 103071368
[3-methyl-1-[2-(propylaminomethyl)prop-2-enyl]pyrrolidin-2-yl]methanol
CID 103071455
N-[[1-(2-methylidenebutyl)piperidin-2-yl]methyl]propan-1-amine
CID 66039743
[1-[2-(propylamino)ethyl]azepan-2-yl]methanol
CID 116637143
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-N-propylprop-2-en-1-amine
CID 103071135
[1-[2-(chloromethyl)prop-2-enyl]azepan-2-yl]methanol
CID 103067978
[1-[2-methyl-2-(propylaminomethyl)pentyl]pyrrolidin-2-yl]methanol
CID 62260314
2-[(4-methylsulfanylazepan-1-yl)methyl]-N-propylprop-2-en-1-amine
CID 114237800
1-[2-(propylaminomethyl)prop-2-enyl]pyrrolidin-3-ol
CID 103070392
2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-N-propylprop-2-en-1-amine
CID 106588399
N-methyl-1-[2-(propylaminomethyl)prop-2-enyl]piperidine-3-carboxamide
CID 103197898

Frequently Asked Questions

What is the IUPAC name of [1-[2-(propylaminomethyl)prop-2-enyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[2-(propylaminomethyl)prop-2-enyl]pyrrolidin-2-yl]methanol (CID 103069579) is [1-[2-(propylaminomethyl)prop-2-enyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[2-(propylaminomethyl)prop-2-enyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[2-(propylaminomethyl)prop-2-enyl]pyrrolidin-2-yl]methanol is C=C(CNCCC)CN1CCCC1CO.
What is the InChIKey of [1-[2-(propylaminomethyl)prop-2-enyl]pyrrolidin-2-yl]methanol?
The InChIKey is IHFGNYAOHIOSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-3-6-13-8-11(2)9-14-7-4-5-12(14)10-15/h12-13,15H,2-10H2,1H3.
What are the key properties of [1-[2-(propylaminomethyl)prop-2-enyl]pyrrolidin-2-yl]methanol?
[1-[2-(propylaminomethyl)prop-2-enyl]pyrrolidin-2-yl]methanol has a molecular weight of 212.34 g/mol, XLogP of 1.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(propylaminomethyl)prop-2-enyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 103069579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).