2-[(3,3-dimethylpiperidin-1-yl)methyl]-N-propylprop-2-en-1-amine

C14H28N2 — CID 103070736

IUPAC2-[(3,3-dimethylpiperidin-1-yl)methyl]-N-propylprop-2-en-1-amine
SMILESC=C(CNCCC)CN1CCCC(C)(C)C1
InChIInChI=1S/C14H28N2/c1-5-8-15-10-13(2)11-16-9-6-7-14(3,4)12-16/h15H,2,5-12H2,1,3-4H3
InChIKeyPOCGBGNCXFFYDB-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.66
Rot. Bonds6

About 2-[(3,3-dimethylpiperidin-1-yl)methyl]-N-propylprop-2-en-1-amine

2-[(3,3-dimethylpiperidin-1-yl)methyl]-N-propylprop-2-en-1-amine (PubChem CID 103070736) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 2-[(3,3-dimethylpiperidin-1-yl)methyl]-N-propylprop-2-en-1-amine.

Molecular Properties

Compound Name2-[(3,3-dimethylpiperidin-1-yl)methyl]-N-propylprop-2-en-1-amine
PubChem CID103070736
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name2-[(3,3-dimethylpiperidin-1-yl)methyl]-N-propylprop-2-en-1-amine
SMILESC=C(CNCCC)CN1CCCC(C)(C)C1
InChIInChI=1S/C14H28N2/c1-5-8-15-10-13(2)11-16-9-6-7-14(3,4)12-16/h15H,2,5-12H2,1,3-4H3
InChIKeyPOCGBGNCXFFYDB-UHFFFAOYSA-N
XLogP2.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

4-methyl-1-[2-(propylaminomethyl)prop-2-enyl]piperidin-4-ol
CID 103071087
1-[2-(ethylaminomethyl)prop-2-enyl]-3-methylpiperidin-3-ol
CID 103071350
2-(1,4-oxazepan-4-ylmethyl)-N-propylprop-2-en-1-amine
CID 103070419
N-methyl-1-[2-(propylaminomethyl)prop-2-enyl]piperidine-3-carboxamide
CID 103197898
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
2-[(3,5-dimethylpiperidin-1-yl)methyl]-N-propylprop-2-en-1-amine
CID 103068925
4,4-dimethyl-1-[2-(propylaminomethyl)prop-2-enyl]piperidine-2,6-dione
CID 103072355
2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-propylprop-2-en-1-amine
CID 103068847
6-(4,4-dimethylazepan-1-yl)-N-propylhexan-1-amine
CID 65286566
N-propyl-2-[(3-propylpyrrolidin-1-yl)methyl]prop-2-en-1-amine
CID 103071251

Frequently Asked Questions

What is the IUPAC name of 2-[(3,3-dimethylpiperidin-1-yl)methyl]-N-propylprop-2-en-1-amine?
The IUPAC name of 2-[(3,3-dimethylpiperidin-1-yl)methyl]-N-propylprop-2-en-1-amine (CID 103070736) is 2-[(3,3-dimethylpiperidin-1-yl)methyl]-N-propylprop-2-en-1-amine.
What is the SMILES notation for 2-[(3,3-dimethylpiperidin-1-yl)methyl]-N-propylprop-2-en-1-amine?
The canonical SMILES for 2-[(3,3-dimethylpiperidin-1-yl)methyl]-N-propylprop-2-en-1-amine is C=C(CNCCC)CN1CCCC(C)(C)C1.
What is the InChIKey of 2-[(3,3-dimethylpiperidin-1-yl)methyl]-N-propylprop-2-en-1-amine?
The InChIKey is POCGBGNCXFFYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-5-8-15-10-13(2)11-16-9-6-7-14(3,4)12-16/h15H,2,5-12H2,1,3-4H3.
What are the key properties of 2-[(3,3-dimethylpiperidin-1-yl)methyl]-N-propylprop-2-en-1-amine?
2-[(3,3-dimethylpiperidin-1-yl)methyl]-N-propylprop-2-en-1-amine has a molecular weight of 224.39 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,3-dimethylpiperidin-1-yl)methyl]-N-propylprop-2-en-1-amine is sourced from PubChem (CID 103070736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).