N-[1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]ethyl]propan-2-amine

C17H30N4 — CID 45237769

IUPACN-[1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]ethyl]propan-2-amine
SMILESCc1nc(N2CCCCCCC2)ncc1C(C)NC(C)C
InChIInChI=1S/C17H30N4/c1-13(2)19-14(3)16-12-18-17(20-15(16)4)21-10-8-6-5-7-9-11-21/h12-14,19H,5-11H2,1-4H3
InChIKeyCPPJKEJJTIJPAS-UHFFFAOYSA-N
MW290.46 g/mol
LogP3.61
Rot. Bonds4

About N-[1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]ethyl]propan-2-amine

N-[1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]ethyl]propan-2-amine (PubChem CID 45237769) has the molecular formula C17H30N4 and a molecular weight of 290.46 g/mol. Its IUPAC name is N-[1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]ethyl]propan-2-amine
PubChem CID45237769
Molecular FormulaC17H30N4
Molecular Weight290.46 g/mol
Exact Mass290.25
IUPAC NameN-[1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]ethyl]propan-2-amine
SMILESCc1nc(N2CCCCCCC2)ncc1C(C)NC(C)C
InChIInChI=1S/C17H30N4/c1-13(2)19-14(3)16-12-18-17(20-15(16)4)21-10-8-6-5-7-9-11-21/h12-14,19H,5-11H2,1-4H3
InChIKeyCPPJKEJJTIJPAS-UHFFFAOYSA-N
XLogP3.61
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.46
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]ethyl]propan-2-amine?
The IUPAC name of N-[1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]ethyl]propan-2-amine (CID 45237769) is N-[1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]ethyl]propan-2-amine.
What is the SMILES notation for N-[1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]ethyl]propan-2-amine?
The canonical SMILES for N-[1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]ethyl]propan-2-amine is Cc1nc(N2CCCCCCC2)ncc1C(C)NC(C)C.
What is the InChIKey of N-[1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]ethyl]propan-2-amine?
The InChIKey is CPPJKEJJTIJPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-13(2)19-14(3)16-12-18-17(20-15(16)4)21-10-8-6-5-7-9-11-21/h12-14,19H,5-11H2,1-4H3.
What are the key properties of N-[1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]ethyl]propan-2-amine?
N-[1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]ethyl]propan-2-amine has a molecular weight of 290.46 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]ethyl]propan-2-amine is sourced from PubChem (CID 45237769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).