N-[1-[5-(2,5-dimethylpiperidin-1-yl)-2-pyridinyl]ethyl]propan-1-amine

C17H29N3 — CID 83127393

IUPACN-[1-[5-(2,5-dimethylpiperidin-1-yl)-2-pyridinyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(N2CC(C)CCC2C)cn1
InChIInChI=1S/C17H29N3/c1-5-10-18-15(4)17-9-8-16(11-19-17)20-12-13(2)6-7-14(20)3/h8-9,11,13-15,18H,5-7,10,12H2,1-4H3
InChIKeyGUGSMQJGFGGNFA-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.77
Rot. Bonds5

About N-[1-[5-(2,5-dimethylpiperidin-1-yl)-2-pyridinyl]ethyl]propan-1-amine

N-[1-[5-(2,5-dimethylpiperidin-1-yl)-2-pyridinyl]ethyl]propan-1-amine (PubChem CID 83127393) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[1-[5-(2,5-dimethylpiperidin-1-yl)-2-pyridinyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[5-(2,5-dimethylpiperidin-1-yl)-2-pyridinyl]ethyl]propan-1-amine
PubChem CID83127393
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN-[1-[5-(2,5-dimethylpiperidin-1-yl)-2-pyridinyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(N2CC(C)CCC2C)cn1
InChIInChI=1S/C17H29N3/c1-5-10-18-15(4)17-9-8-16(11-19-17)20-12-13(2)6-7-14(20)3/h8-9,11,13-15,18H,5-7,10,12H2,1-4H3
InChIKeyGUGSMQJGFGGNFA-UHFFFAOYSA-N
XLogP3.77
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(2,5-dimethylpiperidin-1-yl)-2-pyridinyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[5-(2,5-dimethylpiperidin-1-yl)-2-pyridinyl]ethyl]propan-1-amine (CID 83127393) is N-[1-[5-(2,5-dimethylpiperidin-1-yl)-2-pyridinyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[5-(2,5-dimethylpiperidin-1-yl)-2-pyridinyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[5-(2,5-dimethylpiperidin-1-yl)-2-pyridinyl]ethyl]propan-1-amine is CCCNC(C)c1ccc(N2CC(C)CCC2C)cn1.
What is the InChIKey of N-[1-[5-(2,5-dimethylpiperidin-1-yl)-2-pyridinyl]ethyl]propan-1-amine?
The InChIKey is GUGSMQJGFGGNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-5-10-18-15(4)17-9-8-16(11-19-17)20-12-13(2)6-7-14(20)3/h8-9,11,13-15,18H,5-7,10,12H2,1-4H3.
What are the key properties of N-[1-[5-(2,5-dimethylpiperidin-1-yl)-2-pyridinyl]ethyl]propan-1-amine?
N-[1-[5-(2,5-dimethylpiperidin-1-yl)-2-pyridinyl]ethyl]propan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(2,5-dimethylpiperidin-1-yl)-2-pyridinyl]ethyl]propan-1-amine is sourced from PubChem (CID 83127393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).