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

C16H26N4 — CID 61015864

IUPAC1-(3-methylbut-2-enyl)-N-[(2-methylpyrimidin-4-yl)methyl]piperidin-4-amine
SMILESCC(C)=CCN1CCC(NCc2ccnc(C)n2)CC1
InChIInChI=1S/C16H26N4/c1-13(2)5-9-20-10-6-15(7-11-20)18-12-16-4-8-17-14(3)19-16/h4-5,8,15,18H,6-7,9-12H2,1-3H3
InChIKeyGWUVMGCYIXIFAZ-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.31
Rot. Bonds5

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

1-(3-methylbut-2-enyl)-N-[(2-methylpyrimidin-4-yl)methyl]piperidin-4-amine (PubChem CID 61015864) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-(3-methylbut-2-enyl)-N-[(2-methylpyrimidin-4-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-(3-methylbut-2-enyl)-N-[(2-methylpyrimidin-4-yl)methyl]piperidin-4-amine
PubChem CID61015864
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name1-(3-methylbut-2-enyl)-N-[(2-methylpyrimidin-4-yl)methyl]piperidin-4-amine
SMILESCC(C)=CCN1CCC(NCc2ccnc(C)n2)CC1
InChIInChI=1S/C16H26N4/c1-13(2)5-9-20-10-6-15(7-11-20)18-12-16-4-8-17-14(3)19-16/h4-5,8,15,18H,6-7,9-12H2,1-3H3
InChIKeyGWUVMGCYIXIFAZ-UHFFFAOYSA-N
XLogP2.31
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-methylpyrimidin-4-yl)methyl]cyclohexanamine
CID 60962032
1-methyl-N-[(2-methylpyrimidin-4-yl)methyl]azepan-4-amine
CID 65069995
1-(3-methylbut-2-enyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
CID 61282827
1-cyclopropyl-N-[(2-methylpyrimidin-4-yl)methyl]pyrrolidin-3-amine
CID 62747897
1-(3-methylbut-2-enyl)-N-[(3-methyl-2-pyridinyl)methyl]piperidin-4-amine
CID 63306097
1-benzyl-N-[(2-methylpyrimidin-4-yl)methyl]pyrrolidin-3-amine
CID 61016801
1-(3-methylbut-2-enyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine
CID 54912882
2-[[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]methyl]phenol
CID 115617583
N-[(2-methylpyrimidin-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 62748227
trans-(1R,2R)-2-[(2-methylpyrimidin-4-yl)methylamino]cyclopentan-1-ol
CID 93444311
3-(4-methylphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]cyclobutan-1-amine
CID 61016617
9-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 65471994

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbut-2-enyl)-N-[(2-methylpyrimidin-4-yl)methyl]piperidin-4-amine?
The IUPAC name of 1-(3-methylbut-2-enyl)-N-[(2-methylpyrimidin-4-yl)methyl]piperidin-4-amine (CID 61015864) is 1-(3-methylbut-2-enyl)-N-[(2-methylpyrimidin-4-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-(3-methylbut-2-enyl)-N-[(2-methylpyrimidin-4-yl)methyl]piperidin-4-amine?
The canonical SMILES for 1-(3-methylbut-2-enyl)-N-[(2-methylpyrimidin-4-yl)methyl]piperidin-4-amine is CC(C)=CCN1CCC(NCc2ccnc(C)n2)CC1.
What is the InChIKey of 1-(3-methylbut-2-enyl)-N-[(2-methylpyrimidin-4-yl)methyl]piperidin-4-amine?
The InChIKey is GWUVMGCYIXIFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-13(2)5-9-20-10-6-15(7-11-20)18-12-16-4-8-17-14(3)19-16/h4-5,8,15,18H,6-7,9-12H2,1-3H3.
What are the key properties of 1-(3-methylbut-2-enyl)-N-[(2-methylpyrimidin-4-yl)methyl]piperidin-4-amine?
1-(3-methylbut-2-enyl)-N-[(2-methylpyrimidin-4-yl)methyl]piperidin-4-amine has a molecular weight of 274.41 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbut-2-enyl)-N-[(2-methylpyrimidin-4-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 61015864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).