N-[1-[1-(7H-purin-6-yl)piperidin-4-yl]ethyl]propan-1-amine

C15H24N6 — CID 63854249

IUPACN-[1-[1-(7H-purin-6-yl)piperidin-4-yl]ethyl]propan-1-amine
SMILESCCCNC(C)C1CCN(c2ncnc3nc[nH]c23)CC1
InChIInChI=1S/C15H24N6/c1-3-6-16-11(2)12-4-7-21(8-5-12)15-13-14(18-9-17-13)19-10-20-15/h9-12,16H,3-8H2,1-2H3,(H,17,18,19,20)
InChIKeyFHQWNLQFAXKYJG-UHFFFAOYSA-N
MW288.40 g/mol
LogP1.96
Rot. Bonds5

About N-[1-[1-(7H-purin-6-yl)piperidin-4-yl]ethyl]propan-1-amine

N-[1-[1-(7H-purin-6-yl)piperidin-4-yl]ethyl]propan-1-amine (PubChem CID 63854249) has the molecular formula C15H24N6 and a molecular weight of 288.40 g/mol. Its IUPAC name is N-[1-[1-(7H-purin-6-yl)piperidin-4-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[1-(7H-purin-6-yl)piperidin-4-yl]ethyl]propan-1-amine
PubChem CID63854249
Molecular FormulaC15H24N6
Molecular Weight288.40 g/mol
Exact Mass288.21
IUPAC NameN-[1-[1-(7H-purin-6-yl)piperidin-4-yl]ethyl]propan-1-amine
SMILESCCCNC(C)C1CCN(c2ncnc3nc[nH]c23)CC1
InChIInChI=1S/C15H24N6/c1-3-6-16-11(2)12-4-7-21(8-5-12)15-13-14(18-9-17-13)19-10-20-15/h9-12,16H,3-8H2,1-2H3,(H,17,18,19,20)
InChIKeyFHQWNLQFAXKYJG-UHFFFAOYSA-N
XLogP1.96
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(7H-purin-6-yl)piperidin-4-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[1-(7H-purin-6-yl)piperidin-4-yl]ethyl]propan-1-amine (CID 63854249) is N-[1-[1-(7H-purin-6-yl)piperidin-4-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[1-(7H-purin-6-yl)piperidin-4-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[1-(7H-purin-6-yl)piperidin-4-yl]ethyl]propan-1-amine is CCCNC(C)C1CCN(c2ncnc3nc[nH]c23)CC1.
What is the InChIKey of N-[1-[1-(7H-purin-6-yl)piperidin-4-yl]ethyl]propan-1-amine?
The InChIKey is FHQWNLQFAXKYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6/c1-3-6-16-11(2)12-4-7-21(8-5-12)15-13-14(18-9-17-13)19-10-20-15/h9-12,16H,3-8H2,1-2H3,(H,17,18,19,20).
What are the key properties of N-[1-[1-(7H-purin-6-yl)piperidin-4-yl]ethyl]propan-1-amine?
N-[1-[1-(7H-purin-6-yl)piperidin-4-yl]ethyl]propan-1-amine has a molecular weight of 288.40 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(7H-purin-6-yl)piperidin-4-yl]ethyl]propan-1-amine is sourced from PubChem (CID 63854249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).