2-[(2,4-dimethylpyrrolidin-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine

C13H26N2 — CID 103071356

IUPAC2-[(2,4-dimethylpyrrolidin-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine
SMILESC=C(CNC(C)C)CN1CC(C)CC1C
InChIInChI=1S/C13H26N2/c1-10(2)14-7-12(4)9-15-8-11(3)6-13(15)5/h10-11,13-14H,4,6-9H2,1-3,5H3
InChIKeyWWXDDHLTUZQEBG-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.27
Rot. Bonds5

About 2-[(2,4-dimethylpyrrolidin-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine

2-[(2,4-dimethylpyrrolidin-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine (PubChem CID 103071356) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 2-[(2,4-dimethylpyrrolidin-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine.

Molecular Properties

Compound Name2-[(2,4-dimethylpyrrolidin-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine
PubChem CID103071356
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name2-[(2,4-dimethylpyrrolidin-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine
SMILESC=C(CNC(C)C)CN1CC(C)CC1C
InChIInChI=1S/C13H26N2/c1-10(2)14-7-12(4)9-15-8-11(3)6-13(15)5/h10-11,13-14H,4,6-9H2,1-3,5H3
InChIKeyWWXDDHLTUZQEBG-UHFFFAOYSA-N
XLogP2.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[(propan-2-ylamino)methyl]prop-2-enyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol
CID 114247635
2-(azepan-1-ylmethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103068857
2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103070890
3,4-dimethyl-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrrolidine-2,5-dione
CID 103072679
2-[(2,5-dimethylpiperidin-1-yl)methyl]-N-ethylprop-2-en-1-amine
CID 103070868
N-[2-[(2,5-dimethylpiperidin-1-yl)methyl]prop-2-enyl]cyclopropanamine
CID 103070872
2-[(4-methylpiperazin-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine
CID 103068829
3-methyl-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrrolidine-2,5-dione
CID 103072064
[1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]piperidin-4-yl]methanol
CID 103069109
2,4-dimethyl-1-(3-methylbut-3-enyl)pyrrolidine
CID 126995396
2-(morpholin-4-ylmethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103068808
N-propan-2-yl-2-[(3-propylpyrrolidin-1-yl)methyl]prop-2-en-1-amine
CID 103071247

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethylpyrrolidin-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine?
The IUPAC name of 2-[(2,4-dimethylpyrrolidin-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine (CID 103071356) is 2-[(2,4-dimethylpyrrolidin-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine.
What is the SMILES notation for 2-[(2,4-dimethylpyrrolidin-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine?
The canonical SMILES for 2-[(2,4-dimethylpyrrolidin-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine is C=C(CNC(C)C)CN1CC(C)CC1C.
What is the InChIKey of 2-[(2,4-dimethylpyrrolidin-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine?
The InChIKey is WWXDDHLTUZQEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-10(2)14-7-12(4)9-15-8-11(3)6-13(15)5/h10-11,13-14H,4,6-9H2,1-3,5H3.
What are the key properties of 2-[(2,4-dimethylpyrrolidin-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine?
2-[(2,4-dimethylpyrrolidin-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine has a molecular weight of 210.36 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethylpyrrolidin-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine is sourced from PubChem (CID 103071356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).