3-methyl-N-(2-piperidin-1-ylpropyl)but-2-en-1-amine

C13H26N2 — CID 106547014

IUPAC3-methyl-N-(2-piperidin-1-ylpropyl)but-2-en-1-amine
SMILESCC(C)=CCNCC(C)N1CCCCC1
InChIInChI=1S/C13H26N2/c1-12(2)7-8-14-11-13(3)15-9-5-4-6-10-15/h7,13-14H,4-6,8-11H2,1-3H3
InChIKeyPMNRNFFXMXPKHG-UHFFFAOYSA-N
MW210.37 g/mol
LogP2.42
Rot. Bonds5

About 3-methyl-N-(2-piperidin-1-ylpropyl)but-2-en-1-amine

3-methyl-N-(2-piperidin-1-ylpropyl)but-2-en-1-amine (PubChem CID 106547014) has the molecular formula C13H26N2 and a molecular weight of 210.37 g/mol. Its IUPAC name is 3-methyl-N-(2-piperidin-1-ylpropyl)but-2-en-1-amine.

Molecular Properties

Compound Name3-methyl-N-(2-piperidin-1-ylpropyl)but-2-en-1-amine
PubChem CID106547014
Molecular FormulaC13H26N2
Molecular Weight210.37 g/mol
Exact Mass210.21
IUPAC Name3-methyl-N-(2-piperidin-1-ylpropyl)but-2-en-1-amine
SMILESCC(C)=CCNCC(C)N1CCCCC1
InChIInChI=1S/C13H26N2/c1-12(2)7-8-14-11-13(3)15-9-5-4-6-10-15/h7,13-14H,4-6,8-11H2,1-3H3
InChIKeyPMNRNFFXMXPKHG-UHFFFAOYSA-N
XLogP2.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.37
LogP ≤ 52.42
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

3-chloro-2-methyl-N-(2-piperidin-1-ylpropyl)prop-2-en-1-amine
CID 106437656
3-methyl-4-(2-piperidin-1-ylpropylamino)but-2-enoic acid
CID 103246512
2-methyl-4-(2-piperidin-1-ylpropylamino)butan-2-ol
CID 79361764
N-[2-(azepan-1-yl)propyl]butan-1-amine
CID 62557297
N-(oxan-4-ylmethyl)-2-piperidin-1-ylpropan-1-amine
CID 55066116
N-(2-piperidin-1-ylpropyl)octan-1-amine
CID 63452848
1-(4-piperidin-1-ylpentan-2-yl)piperidine
CID 174442116
methyl 2,2-dimethyl-3-(2-piperidin-1-ylpropylamino)propanoate
CID 79623548
(2S)-N-benzyl-2-piperidin-1-ylpropan-1-amine
CID 92753834
2-(2-piperidin-1-ylpropylamino)ethanesulfonamide
CID 114384890
N-(2-piperidin-1-ylpropyl)cyclopropanamine
CID 62424338
2-piperidin-1-ylpropylcyanamide
CID 62483292

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-piperidin-1-ylpropyl)but-2-en-1-amine?
The IUPAC name of 3-methyl-N-(2-piperidin-1-ylpropyl)but-2-en-1-amine (CID 106547014) is 3-methyl-N-(2-piperidin-1-ylpropyl)but-2-en-1-amine.
What is the SMILES notation for 3-methyl-N-(2-piperidin-1-ylpropyl)but-2-en-1-amine?
The canonical SMILES for 3-methyl-N-(2-piperidin-1-ylpropyl)but-2-en-1-amine is CC(C)=CCNCC(C)N1CCCCC1.
What is the InChIKey of 3-methyl-N-(2-piperidin-1-ylpropyl)but-2-en-1-amine?
The InChIKey is PMNRNFFXMXPKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-12(2)7-8-14-11-13(3)15-9-5-4-6-10-15/h7,13-14H,4-6,8-11H2,1-3H3.
What are the key properties of 3-methyl-N-(2-piperidin-1-ylpropyl)but-2-en-1-amine?
3-methyl-N-(2-piperidin-1-ylpropyl)but-2-en-1-amine has a molecular weight of 210.37 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-piperidin-1-ylpropyl)but-2-en-1-amine is sourced from PubChem (CID 106547014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).