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

C13H26N2O — CID 103071455

IUPAC[3-methyl-1-[2-(propylaminomethyl)prop-2-enyl]pyrrolidin-2-yl]methanol
SMILESC=C(CNCCC)CN1CCC(C)C1CO
InChIInChI=1S/C13H26N2O/c1-4-6-14-8-11(2)9-15-7-5-12(3)13(15)10-16/h12-14,16H,2,4-10H2,1,3H3
InChIKeyRHENUOCDGNKPOR-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.24
Rot. Bonds7

About [3-methyl-1-[2-(propylaminomethyl)prop-2-enyl]pyrrolidin-2-yl]methanol

[3-methyl-1-[2-(propylaminomethyl)prop-2-enyl]pyrrolidin-2-yl]methanol (PubChem CID 103071455) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is [3-methyl-1-[2-(propylaminomethyl)prop-2-enyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[3-methyl-1-[2-(propylaminomethyl)prop-2-enyl]pyrrolidin-2-yl]methanol
PubChem CID103071455
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name[3-methyl-1-[2-(propylaminomethyl)prop-2-enyl]pyrrolidin-2-yl]methanol
SMILESC=C(CNCCC)CN1CCC(C)C1CO
InChIInChI=1S/C13H26N2O/c1-4-6-14-8-11(2)9-15-7-5-12(3)13(15)10-16/h12-14,16H,2,4-10H2,1,3H3
InChIKeyRHENUOCDGNKPOR-UHFFFAOYSA-N
XLogP1.24
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.24
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

[1-[2-(propylaminomethyl)prop-2-enyl]pyrrolidin-2-yl]methanol
CID 103069579
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-N-propylprop-2-en-1-amine
CID 103071135
1-[2-(propylaminomethyl)prop-2-enyl]pyrrolidin-3-ol
CID 103070392
2-[(3,5-dimethylpiperidin-1-yl)methyl]-N-propylprop-2-en-1-amine
CID 103068925
2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-propylprop-2-en-1-amine
CID 103068847
2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-N-(4-methylcyclohexyl)acetamide
CID 102788580
N-propyl-2-[(3-propylpyrrolidin-1-yl)methyl]prop-2-en-1-amine
CID 103071251
2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-N-propylprop-2-en-1-amine
CID 106588399
[3-methyl-1-(2-propoxyethyl)pyrrolidin-2-yl]methanol
CID 106456281
[3-methyl-1-[[3-(propylaminomethyl)oxan-3-yl]methyl]pyrrolidin-2-yl]methanol
CID 102789456
2-[(4-methylsulfanylazepan-1-yl)methyl]-N-propylprop-2-en-1-amine
CID 114237800
2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 102787948

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-[2-(propylaminomethyl)prop-2-enyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [3-methyl-1-[2-(propylaminomethyl)prop-2-enyl]pyrrolidin-2-yl]methanol (CID 103071455) is [3-methyl-1-[2-(propylaminomethyl)prop-2-enyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [3-methyl-1-[2-(propylaminomethyl)prop-2-enyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [3-methyl-1-[2-(propylaminomethyl)prop-2-enyl]pyrrolidin-2-yl]methanol is C=C(CNCCC)CN1CCC(C)C1CO.
What is the InChIKey of [3-methyl-1-[2-(propylaminomethyl)prop-2-enyl]pyrrolidin-2-yl]methanol?
The InChIKey is RHENUOCDGNKPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-6-14-8-11(2)9-15-7-5-12(3)13(15)10-16/h12-14,16H,2,4-10H2,1,3H3.
What are the key properties of [3-methyl-1-[2-(propylaminomethyl)prop-2-enyl]pyrrolidin-2-yl]methanol?
[3-methyl-1-[2-(propylaminomethyl)prop-2-enyl]pyrrolidin-2-yl]methanol has a molecular weight of 226.36 g/mol, XLogP of 1.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-[2-(propylaminomethyl)prop-2-enyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 103071455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).