N-[(1-ethylpiperidin-4-yl)methyl]-3-methylbut-2-en-1-amine

C13H26N2 — CID 106547114

IUPACN-[(1-ethylpiperidin-4-yl)methyl]-3-methylbut-2-en-1-amine
SMILESCCN1CCC(CNCC=C(C)C)CC1
InChIInChI=1S/C13H26N2/c1-4-15-9-6-13(7-10-15)11-14-8-5-12(2)3/h5,13-14H,4,6-11H2,1-3H3
InChIKeyWWKQTQLDVLRVQS-UHFFFAOYSA-N
MW210.37 g/mol
LogP2.27
Rot. Bonds5

About N-[(1-ethylpiperidin-4-yl)methyl]-3-methylbut-2-en-1-amine

N-[(1-ethylpiperidin-4-yl)methyl]-3-methylbut-2-en-1-amine (PubChem CID 106547114) has the molecular formula C13H26N2 and a molecular weight of 210.37 g/mol. Its IUPAC name is N-[(1-ethylpiperidin-4-yl)methyl]-3-methylbut-2-en-1-amine.

Molecular Properties

Compound NameN-[(1-ethylpiperidin-4-yl)methyl]-3-methylbut-2-en-1-amine
PubChem CID106547114
Molecular FormulaC13H26N2
Molecular Weight210.37 g/mol
Exact Mass210.21
IUPAC NameN-[(1-ethylpiperidin-4-yl)methyl]-3-methylbut-2-en-1-amine
SMILESCCN1CCC(CNCC=C(C)C)CC1
InChIInChI=1S/C13H26N2/c1-4-15-9-6-13(7-10-15)11-14-8-5-12(2)3/h5,13-14H,4,6-11H2,1-3H3
InChIKeyWWKQTQLDVLRVQS-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 ≤ 500210.37
LogP ≤ 52.27
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'}

Analyze N-[(1-ethylpiperidin-4-yl)methyl]-3-methylbut-2-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-(3-methylbut-2-enyl)piperidin-4-yl]methyl]ethanamine
CID 63848559
1-cyclobutyl-N-[(1-ethylpiperidin-4-yl)methyl]methanamine
CID 65457568
N-[(1-ethylpiperidin-4-yl)methyl]prop-2-yn-1-amine
CID 62141446
N-[(1-ethylpiperidin-4-yl)methyl]acetamide
CID 60968762
N-[(1-ethylpiperidin-4-yl)methyl]pent-3-yn-1-amine
CID 104806622
5-[[(1-ethylpiperidin-4-yl)methylamino]methyl]pyrrolidin-2-one
CID 107529310
1,4-diethylpiperidine;ethane
CID 143709904
3-(ethylamino)-N-[(1-ethylpiperidin-4-yl)methyl]propanamide
CID 55121687
2-(cyclopropylmethylamino)-N-(1-ethylpiperidin-4-yl)acetamide
CID 54917428
1-cyclobutyl-N-[(1-ethylpiperidin-4-yl)methyl]propan-2-amine
CID 115717000
N-[(1-ethylpiperidin-4-yl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine
CID 62416081
[5-[[(1-ethylpiperidin-4-yl)methylamino]methyl]furan-2-yl]methanol
CID 64592569

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpiperidin-4-yl)methyl]-3-methylbut-2-en-1-amine?
The IUPAC name of N-[(1-ethylpiperidin-4-yl)methyl]-3-methylbut-2-en-1-amine (CID 106547114) is N-[(1-ethylpiperidin-4-yl)methyl]-3-methylbut-2-en-1-amine.
What is the SMILES notation for N-[(1-ethylpiperidin-4-yl)methyl]-3-methylbut-2-en-1-amine?
The canonical SMILES for N-[(1-ethylpiperidin-4-yl)methyl]-3-methylbut-2-en-1-amine is CCN1CCC(CNCC=C(C)C)CC1.
What is the InChIKey of N-[(1-ethylpiperidin-4-yl)methyl]-3-methylbut-2-en-1-amine?
The InChIKey is WWKQTQLDVLRVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-4-15-9-6-13(7-10-15)11-14-8-5-12(2)3/h5,13-14H,4,6-11H2,1-3H3.
What are the key properties of N-[(1-ethylpiperidin-4-yl)methyl]-3-methylbut-2-en-1-amine?
N-[(1-ethylpiperidin-4-yl)methyl]-3-methylbut-2-en-1-amine has a molecular weight of 210.37 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 N-[(1-ethylpiperidin-4-yl)methyl]-3-methylbut-2-en-1-amine is sourced from PubChem (CID 106547114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).