N-[[1-(3-methylbut-2-enyl)piperidin-4-yl]methyl]ethanamine

C13H26N2 — CID 63848559

IUPACN-[[1-(3-methylbut-2-enyl)piperidin-4-yl]methyl]ethanamine
SMILESCCNCC1CCN(CC=C(C)C)CC1
InChIInChI=1S/C13H26N2/c1-4-14-11-13-6-9-15(10-7-13)8-5-12(2)3/h5,13-14H,4,6-11H2,1-3H3
InChIKeyRMPZDGWJMBKRPT-UHFFFAOYSA-N
MW210.37 g/mol
LogP2.27
Rot. Bonds5

About N-[[1-(3-methylbut-2-enyl)piperidin-4-yl]methyl]ethanamine

N-[[1-(3-methylbut-2-enyl)piperidin-4-yl]methyl]ethanamine (PubChem CID 63848559) has the molecular formula C13H26N2 and a molecular weight of 210.37 g/mol. Its IUPAC name is N-[[1-(3-methylbut-2-enyl)piperidin-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(3-methylbut-2-enyl)piperidin-4-yl]methyl]ethanamine
PubChem CID63848559
Molecular FormulaC13H26N2
Molecular Weight210.37 g/mol
Exact Mass210.21
IUPAC NameN-[[1-(3-methylbut-2-enyl)piperidin-4-yl]methyl]ethanamine
SMILESCCNCC1CCN(CC=C(C)C)CC1
InChIInChI=1S/C13H26N2/c1-4-14-11-13-6-9-15(10-7-13)8-5-12(2)3/h5,13-14H,4,6-11H2,1-3H3
InChIKeyRMPZDGWJMBKRPT-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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(1-ethylpiperidin-4-yl)methyl]-3-methylbut-2-en-1-amine
CID 106547114
N-ethyl-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43755150
2-[4-(ethylaminomethyl)piperidin-1-yl]ethanol
CID 63588121
N,N-dimethyl-1-[1-(3-methylbut-2-enyl)piperidin-4-yl]methanamine
CID 56824391
N-ethoxy-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 82710058
N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]ethanamine
CID 62593089
N-[[1-(4-methylpentyl)piperidin-4-yl]methyl]ethanamine
CID 83158561
N-ethyl-1-(3-methylbut-2-enyl)pyrrolidin-3-amine
CID 106191040
N-[(1-butylpiperidin-4-yl)methyl]ethanamine;molecular hydrogen
CID 143678489
N-cyclobutyl-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 62415331
1-cyclopentyl-3-[4-(ethylaminomethyl)piperidin-1-yl]propan-2-ol
CID 103160901
N-[[1-(2-propoxyethyl)piperidin-4-yl]methyl]ethanamine
CID 106453503

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methylbut-2-enyl)piperidin-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(3-methylbut-2-enyl)piperidin-4-yl]methyl]ethanamine (CID 63848559) is N-[[1-(3-methylbut-2-enyl)piperidin-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(3-methylbut-2-enyl)piperidin-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(3-methylbut-2-enyl)piperidin-4-yl]methyl]ethanamine is CCNCC1CCN(CC=C(C)C)CC1.
What is the InChIKey of N-[[1-(3-methylbut-2-enyl)piperidin-4-yl]methyl]ethanamine?
The InChIKey is RMPZDGWJMBKRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-4-14-11-13-6-9-15(10-7-13)8-5-12(2)3/h5,13-14H,4,6-11H2,1-3H3.
What are the key properties of N-[[1-(3-methylbut-2-enyl)piperidin-4-yl]methyl]ethanamine?
N-[[1-(3-methylbut-2-enyl)piperidin-4-yl]methyl]ethanamine 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-(3-methylbut-2-enyl)piperidin-4-yl]methyl]ethanamine is sourced from PubChem (CID 63848559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).