N,N-dimethyl-1-[1-(3-methylbut-2-enyl)piperidin-4-yl]methanamine

C13H26N2 — CID 56824391

IUPACN,N-dimethyl-1-[1-(3-methylbut-2-enyl)piperidin-4-yl]methanamine
SMILESCC(C)=CCN1CCC(CN(C)C)CC1
InChIInChI=1S/C13H26N2/c1-12(2)5-8-15-9-6-13(7-10-15)11-14(3)4/h5,13H,6-11H2,1-4H3
InChIKeyVPZGHBYWWGOAGA-UHFFFAOYSA-N
MW210.37 g/mol
LogP2.23
Rot. Bonds4

About N,N-dimethyl-1-[1-(3-methylbut-2-enyl)piperidin-4-yl]methanamine

N,N-dimethyl-1-[1-(3-methylbut-2-enyl)piperidin-4-yl]methanamine (PubChem CID 56824391) has the molecular formula C13H26N2 and a molecular weight of 210.37 g/mol. Its IUPAC name is N,N-dimethyl-1-[1-(3-methylbut-2-enyl)piperidin-4-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[1-(3-methylbut-2-enyl)piperidin-4-yl]methanamine
PubChem CID56824391
Molecular FormulaC13H26N2
Molecular Weight210.37 g/mol
Exact Mass210.21
IUPAC NameN,N-dimethyl-1-[1-(3-methylbut-2-enyl)piperidin-4-yl]methanamine
SMILESCC(C)=CCN1CCC(CN(C)C)CC1
InChIInChI=1S/C13H26N2/c1-12(2)5-8-15-9-6-13(7-10-15)11-14(3)4/h5,13H,6-11H2,1-4H3
InChIKeyVPZGHBYWWGOAGA-UHFFFAOYSA-N
XLogP2.23
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.37
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(3-methylbut-2-enyl)piperidin-4-yl]methyl]ethanamine
CID 63848559
4-[(dimethylamino)methyl]-N-methylpiperidine-1-carboxamide
CID 115583877
1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethyl]piperidin-4-amine
CID 79328289
2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]cycloheptan-1-ol
CID 62610429
3-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-methyl-2-(methylamino)propan-1-ol
CID 64828332
N-cyclobutyl-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 62415331
N-ethyl-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43755150
1-[1-[2-(bromomethyl)-2-ethylbutyl]piperidin-4-yl]-N,N-dimethylmethanamine
CID 65003733
4-[4-[(dimethylamino)methyl]piperidin-1-yl]-3,3-dimethylbutan-2-ol
CID 66453045
4-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-2,2,5,5-tetramethyloxolan-3-ol
CID 79914066
2-[(3S)-3-[(dimethylamino)methyl]pyrrolidin-1-yl]acetic acid
CID 96554910
1-[1-(3-bromo-2,2-dimethylpropyl)piperidin-4-yl]-N,N-dimethylmethanamine
CID 65000008

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[1-(3-methylbut-2-enyl)piperidin-4-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[1-(3-methylbut-2-enyl)piperidin-4-yl]methanamine (CID 56824391) is N,N-dimethyl-1-[1-(3-methylbut-2-enyl)piperidin-4-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[1-(3-methylbut-2-enyl)piperidin-4-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[1-(3-methylbut-2-enyl)piperidin-4-yl]methanamine is CC(C)=CCN1CCC(CN(C)C)CC1.
What is the InChIKey of N,N-dimethyl-1-[1-(3-methylbut-2-enyl)piperidin-4-yl]methanamine?
The InChIKey is VPZGHBYWWGOAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-12(2)5-8-15-9-6-13(7-10-15)11-14(3)4/h5,13H,6-11H2,1-4H3.
What are the key properties of N,N-dimethyl-1-[1-(3-methylbut-2-enyl)piperidin-4-yl]methanamine?
N,N-dimethyl-1-[1-(3-methylbut-2-enyl)piperidin-4-yl]methanamine has a molecular weight of 210.37 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[1-(3-methylbut-2-enyl)piperidin-4-yl]methanamine is sourced from PubChem (CID 56824391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).