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

C16H31N3 — CID 103778951

IUPAC1-(3-methylbut-2-enyl)-N-[(1-methylpyrrolidin-2-yl)methyl]piperidin-4-amine
SMILESCC(C)=CCN1CCC(NCC2CCCN2C)CC1
InChIInChI=1S/C16H31N3/c1-14(2)6-10-19-11-7-15(8-12-19)17-13-16-5-4-9-18(16)3/h6,15-17H,4-5,7-13H2,1-3H3
InChIKeyHVERPKIMIKEILO-UHFFFAOYSA-N
MW265.44 g/mol
LogP2.10
Rot. Bonds5

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

1-(3-methylbut-2-enyl)-N-[(1-methylpyrrolidin-2-yl)methyl]piperidin-4-amine (PubChem CID 103778951) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 1-(3-methylbut-2-enyl)-N-[(1-methylpyrrolidin-2-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-(3-methylbut-2-enyl)-N-[(1-methylpyrrolidin-2-yl)methyl]piperidin-4-amine
PubChem CID103778951
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name1-(3-methylbut-2-enyl)-N-[(1-methylpyrrolidin-2-yl)methyl]piperidin-4-amine
SMILESCC(C)=CCN1CCC(NCC2CCCN2C)CC1
InChIInChI=1S/C16H31N3/c1-14(2)6-10-19-11-7-15(8-12-19)17-13-16-5-4-9-18(16)3/h6,15-17H,4-5,7-13H2,1-3H3
InChIKeyHVERPKIMIKEILO-UHFFFAOYSA-N
XLogP2.10
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(1-methylpyrrolidin-2-yl)methylamino]cyclohexan-1-ol
CID 58858777
N-ethyl-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43755150
1-cyclopropyl-N-[(1-methylpiperidin-2-yl)methyl]piperidin-4-amine
CID 62659058
3-[[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 103271380
4-[(1-methylpyrrolidin-2-yl)methylamino]piperidine-1-carboxamide
CID 103778909
N-cyclobutyl-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 62415331
1-benzyl-N-[(1-methylpyrrolidin-2-yl)methyl]piperidin-4-amine
CID 112721976
4-ethyl-N-[(1-methylpyrrolidin-2-yl)methyl]cyclohexan-1-amine
CID 103626242
1-(3-methylbut-2-enyl)-N-prop-2-enylpiperidin-4-amine
CID 43755403
4-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]cyclohexan-1-amine
CID 104530001
1-(3-methylbut-2-enyl)-N-[(1-methylcyclobutyl)methyl]piperidin-4-amine
CID 103903178
ethyl 4-[(1-methylpyrrolidin-2-yl)methylamino]piperidine-1-carboxylate
CID 103749538

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbut-2-enyl)-N-[(1-methylpyrrolidin-2-yl)methyl]piperidin-4-amine?
The IUPAC name of 1-(3-methylbut-2-enyl)-N-[(1-methylpyrrolidin-2-yl)methyl]piperidin-4-amine (CID 103778951) is 1-(3-methylbut-2-enyl)-N-[(1-methylpyrrolidin-2-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-(3-methylbut-2-enyl)-N-[(1-methylpyrrolidin-2-yl)methyl]piperidin-4-amine?
The canonical SMILES for 1-(3-methylbut-2-enyl)-N-[(1-methylpyrrolidin-2-yl)methyl]piperidin-4-amine is CC(C)=CCN1CCC(NCC2CCCN2C)CC1.
What is the InChIKey of 1-(3-methylbut-2-enyl)-N-[(1-methylpyrrolidin-2-yl)methyl]piperidin-4-amine?
The InChIKey is HVERPKIMIKEILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-14(2)6-10-19-11-7-15(8-12-19)17-13-16-5-4-9-18(16)3/h6,15-17H,4-5,7-13H2,1-3H3.
What are the key properties of 1-(3-methylbut-2-enyl)-N-[(1-methylpyrrolidin-2-yl)methyl]piperidin-4-amine?
1-(3-methylbut-2-enyl)-N-[(1-methylpyrrolidin-2-yl)methyl]piperidin-4-amine has a molecular weight of 265.44 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbut-2-enyl)-N-[(1-methylpyrrolidin-2-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 103778951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).