N-[1-[1-(4-methylpyrimidin-2-yl)piperidin-2-yl]ethyl]propan-1-amine

C15H26N4 — CID 63855102

IUPACN-[1-[1-(4-methylpyrimidin-2-yl)piperidin-2-yl]ethyl]propan-1-amine
SMILESCCCNC(C)C1CCCCN1c1nccc(C)n1
InChIInChI=1S/C15H26N4/c1-4-9-16-13(3)14-7-5-6-11-19(14)15-17-10-8-12(2)18-15/h8,10,13-14,16H,4-7,9,11H2,1-3H3
InChIKeyGTUMWEHRLIMFPJ-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.53
Rot. Bonds5

About N-[1-[1-(4-methylpyrimidin-2-yl)piperidin-2-yl]ethyl]propan-1-amine

N-[1-[1-(4-methylpyrimidin-2-yl)piperidin-2-yl]ethyl]propan-1-amine (PubChem CID 63855102) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[1-[1-(4-methylpyrimidin-2-yl)piperidin-2-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[1-(4-methylpyrimidin-2-yl)piperidin-2-yl]ethyl]propan-1-amine
PubChem CID63855102
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC NameN-[1-[1-(4-methylpyrimidin-2-yl)piperidin-2-yl]ethyl]propan-1-amine
SMILESCCCNC(C)C1CCCCN1c1nccc(C)n1
InChIInChI=1S/C15H26N4/c1-4-9-16-13(3)14-7-5-6-11-19(14)15-17-10-8-12(2)18-15/h8,10,13-14,16H,4-7,9,11H2,1-3H3
InChIKeyGTUMWEHRLIMFPJ-UHFFFAOYSA-N
XLogP2.53
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(4-methylpyrimidin-2-yl)piperidin-2-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[1-(4-methylpyrimidin-2-yl)piperidin-2-yl]ethyl]propan-1-amine (CID 63855102) is N-[1-[1-(4-methylpyrimidin-2-yl)piperidin-2-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[1-(4-methylpyrimidin-2-yl)piperidin-2-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[1-(4-methylpyrimidin-2-yl)piperidin-2-yl]ethyl]propan-1-amine is CCCNC(C)C1CCCCN1c1nccc(C)n1.
What is the InChIKey of N-[1-[1-(4-methylpyrimidin-2-yl)piperidin-2-yl]ethyl]propan-1-amine?
The InChIKey is GTUMWEHRLIMFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-4-9-16-13(3)14-7-5-6-11-19(14)15-17-10-8-12(2)18-15/h8,10,13-14,16H,4-7,9,11H2,1-3H3.
What are the key properties of N-[1-[1-(4-methylpyrimidin-2-yl)piperidin-2-yl]ethyl]propan-1-amine?
N-[1-[1-(4-methylpyrimidin-2-yl)piperidin-2-yl]ethyl]propan-1-amine has a molecular weight of 262.40 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(4-methylpyrimidin-2-yl)piperidin-2-yl]ethyl]propan-1-amine is sourced from PubChem (CID 63855102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).