2-(4-propan-2-ylpiperidin-1-yl)pentan-3-amine

C13H28N2 — CID 103495147

IUPAC2-(4-propan-2-ylpiperidin-1-yl)pentan-3-amine
SMILESCCC(N)C(C)N1CCC(C(C)C)CC1
InChIInChI=1S/C13H28N2/c1-5-13(14)11(4)15-8-6-12(7-9-15)10(2)3/h10-13H,5-9,14H2,1-4H3
InChIKeyONAQGEFBXUOXCS-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.48
Rot. Bonds4

About 2-(4-propan-2-ylpiperidin-1-yl)pentan-3-amine

2-(4-propan-2-ylpiperidin-1-yl)pentan-3-amine (PubChem CID 103495147) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 2-(4-propan-2-ylpiperidin-1-yl)pentan-3-amine.

Molecular Properties

Compound Name2-(4-propan-2-ylpiperidin-1-yl)pentan-3-amine
PubChem CID103495147
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name2-(4-propan-2-ylpiperidin-1-yl)pentan-3-amine
SMILESCCC(N)C(C)N1CCC(C(C)C)CC1
InChIInChI=1S/C13H28N2/c1-5-13(14)11(4)15-8-6-12(7-9-15)10(2)3/h10-13H,5-9,14H2,1-4H3
InChIKeyONAQGEFBXUOXCS-UHFFFAOYSA-N
XLogP2.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylpiperidin-1-yl)pentan-3-amine?
The IUPAC name of 2-(4-propan-2-ylpiperidin-1-yl)pentan-3-amine (CID 103495147) is 2-(4-propan-2-ylpiperidin-1-yl)pentan-3-amine.
What is the SMILES notation for 2-(4-propan-2-ylpiperidin-1-yl)pentan-3-amine?
The canonical SMILES for 2-(4-propan-2-ylpiperidin-1-yl)pentan-3-amine is CCC(N)C(C)N1CCC(C(C)C)CC1.
What is the InChIKey of 2-(4-propan-2-ylpiperidin-1-yl)pentan-3-amine?
The InChIKey is ONAQGEFBXUOXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-5-13(14)11(4)15-8-6-12(7-9-15)10(2)3/h10-13H,5-9,14H2,1-4H3.
What are the key properties of 2-(4-propan-2-ylpiperidin-1-yl)pentan-3-amine?
2-(4-propan-2-ylpiperidin-1-yl)pentan-3-amine has a molecular weight of 212.38 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylpiperidin-1-yl)pentan-3-amine is sourced from PubChem (CID 103495147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).