N-[1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]ethyl]propan-1-amine

C16H28N4 — CID 63853700

IUPACN-[1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]ethyl]propan-1-amine
SMILESCCCNC(C)C1CCCN(c2cc(C)nc(C)n2)C1
InChIInChI=1S/C16H28N4/c1-5-8-17-13(3)15-7-6-9-20(11-15)16-10-12(2)18-14(4)19-16/h10,13,15,17H,5-9,11H2,1-4H3
InChIKeyVXMALDSAZYAUTI-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.70
Rot. Bonds5

About N-[1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]ethyl]propan-1-amine

N-[1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]ethyl]propan-1-amine (PubChem CID 63853700) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is N-[1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]ethyl]propan-1-amine
PubChem CID63853700
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC NameN-[1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]ethyl]propan-1-amine
SMILESCCCNC(C)C1CCCN(c2cc(C)nc(C)n2)C1
InChIInChI=1S/C16H28N4/c1-5-8-17-13(3)15-7-6-9-20(11-15)16-10-12(2)18-14(4)19-16/h10,13,15,17H,5-9,11H2,1-4H3
InChIKeyVXMALDSAZYAUTI-UHFFFAOYSA-N
XLogP2.70
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]ethyl]propan-1-amine (CID 63853700) is N-[1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]ethyl]propan-1-amine is CCCNC(C)C1CCCN(c2cc(C)nc(C)n2)C1.
What is the InChIKey of N-[1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]ethyl]propan-1-amine?
The InChIKey is VXMALDSAZYAUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-5-8-17-13(3)15-7-6-9-20(11-15)16-10-12(2)18-14(4)19-16/h10,13,15,17H,5-9,11H2,1-4H3.
What are the key properties of N-[1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]ethyl]propan-1-amine?
N-[1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]ethyl]propan-1-amine has a molecular weight of 276.43 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]ethyl]propan-1-amine is sourced from PubChem (CID 63853700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).