2-[(3-methoxypyrrolidin-1-yl)methyl]prop-2-en-1-amine

C9H18N2O — CID 103537423

IUPAC2-[(3-methoxypyrrolidin-1-yl)methyl]prop-2-en-1-amine
SMILESC=C(CN)CN1CCC(OC)C1
InChIInChI=1S/C9H18N2O/c1-8(5-10)6-11-4-3-9(7-11)12-2/h9H,1,3-7,10H2,2H3
InChIKeyVYUVEHUKYMTQHV-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.22
Rot. Bonds4

About 2-[(3-methoxypyrrolidin-1-yl)methyl]prop-2-en-1-amine

2-[(3-methoxypyrrolidin-1-yl)methyl]prop-2-en-1-amine (PubChem CID 103537423) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 2-[(3-methoxypyrrolidin-1-yl)methyl]prop-2-en-1-amine.

Molecular Properties

Compound Name2-[(3-methoxypyrrolidin-1-yl)methyl]prop-2-en-1-amine
PubChem CID103537423
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name2-[(3-methoxypyrrolidin-1-yl)methyl]prop-2-en-1-amine
SMILESC=C(CN)CN1CCC(OC)C1
InChIInChI=1S/C9H18N2O/c1-8(5-10)6-11-4-3-9(7-11)12-2/h9H,1,3-7,10H2,2H3
InChIKeyVYUVEHUKYMTQHV-UHFFFAOYSA-N
XLogP0.22
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.22
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

methyl 2-(3-methoxypyrrolidin-1-yl)acetate
CID 103535132
2-[(3R)-3-methoxypyrrolidin-1-yl]-N-methylacetamide
CID 130725600
1-[2-(aminomethyl)prop-2-enyl]piperidin-3-ol
CID 103069751
4-(3-methoxypyrrolidin-1-yl)butan-1-amine
CID 69155262
[4-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]methanamine
CID 103531169
(4-methoxypiperidin-1-yl)methanamine
CID 129270206
2-[(4-methoxypiperidin-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine
CID 103069327
2-methoxy-4-(3-methoxypyrrolidin-1-yl)butan-1-amine
CID 103534710
2-amino-1-(3-methoxypyrrolidin-1-yl)ethanone
CID 66564445
1-[(3-methoxypyrrolidin-1-yl)methyl]cyclopropan-1-amine
CID 103534745
[2-[(3-methoxypyrrolidin-1-yl)methyl]furan-3-yl]methanamine
CID 103539631
2-amino-4-(3-methoxypyrrolidin-1-yl)butanoic acid
CID 103537951

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxypyrrolidin-1-yl)methyl]prop-2-en-1-amine?
The IUPAC name of 2-[(3-methoxypyrrolidin-1-yl)methyl]prop-2-en-1-amine (CID 103537423) is 2-[(3-methoxypyrrolidin-1-yl)methyl]prop-2-en-1-amine.
What is the SMILES notation for 2-[(3-methoxypyrrolidin-1-yl)methyl]prop-2-en-1-amine?
The canonical SMILES for 2-[(3-methoxypyrrolidin-1-yl)methyl]prop-2-en-1-amine is C=C(CN)CN1CCC(OC)C1.
What is the InChIKey of 2-[(3-methoxypyrrolidin-1-yl)methyl]prop-2-en-1-amine?
The InChIKey is VYUVEHUKYMTQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-8(5-10)6-11-4-3-9(7-11)12-2/h9H,1,3-7,10H2,2H3.
What are the key properties of 2-[(3-methoxypyrrolidin-1-yl)methyl]prop-2-en-1-amine?
2-[(3-methoxypyrrolidin-1-yl)methyl]prop-2-en-1-amine has a molecular weight of 170.26 g/mol, XLogP of 0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxypyrrolidin-1-yl)methyl]prop-2-en-1-amine is sourced from PubChem (CID 103537423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).