N-[2-[9-(5-fluoro-2-pyridinyl)-2,6-dioxaspiro[4.5]decan-9-yl]ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine

C25H31FN2O2 — CID 155054126

IUPACN-[2-[9-(5-fluoro-2-pyridinyl)-2,6-dioxaspiro[4.5]decan-9-yl]ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESFc1ccc(C2(CCNC3CCCc4ccccc43)CCOC3(CCOC3)C2)nc1
InChIInChI=1S/C25H31FN2O2/c26-20-8-9-23(28-16-20)24(11-15-30-25(17-24)12-14-29-18-25)10-13-27-22-7-3-5-19-4-1-2-6-21(19)22/h1-2,4,6,8-9,16,22,27H,3,5,7,10-15,17-18H2
InChIKeyNIBUEZWQAKFVET-UHFFFAOYSA-N
MW410.53 g/mol
LogP4.49
Rot. Bonds5

About N-[2-[9-(5-fluoro-2-pyridinyl)-2,6-dioxaspiro[4.5]decan-9-yl]ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine

N-[2-[9-(5-fluoro-2-pyridinyl)-2,6-dioxaspiro[4.5]decan-9-yl]ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 155054126) has the molecular formula C25H31FN2O2 and a molecular weight of 410.53 g/mol. Its IUPAC name is N-[2-[9-(5-fluoro-2-pyridinyl)-2,6-dioxaspiro[4.5]decan-9-yl]ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-[2-[9-(5-fluoro-2-pyridinyl)-2,6-dioxaspiro[4.5]decan-9-yl]ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID155054126
Molecular FormulaC25H31FN2O2
Molecular Weight410.53 g/mol
Exact Mass410.24
IUPAC NameN-[2-[9-(5-fluoro-2-pyridinyl)-2,6-dioxaspiro[4.5]decan-9-yl]ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESFc1ccc(C2(CCNC3CCCc4ccccc43)CCOC3(CCOC3)C2)nc1
InChIInChI=1S/C25H31FN2O2/c26-20-8-9-23(28-16-20)24(11-15-30-25(17-24)12-14-29-18-25)10-13-27-22-7-3-5-19-4-1-2-6-21(19)22/h1-2,4,6,8-9,16,22,27H,3,5,7,10-15,17-18H2
InChIKeyNIBUEZWQAKFVET-UHFFFAOYSA-N
XLogP4.49
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.53
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[9-(5-fluoro-2-pyridinyl)-2,6-dioxaspiro[4.5]decan-9-yl]ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-[2-[9-(5-fluoro-2-pyridinyl)-2,6-dioxaspiro[4.5]decan-9-yl]ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 155054126) is N-[2-[9-(5-fluoro-2-pyridinyl)-2,6-dioxaspiro[4.5]decan-9-yl]ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-[2-[9-(5-fluoro-2-pyridinyl)-2,6-dioxaspiro[4.5]decan-9-yl]ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-[2-[9-(5-fluoro-2-pyridinyl)-2,6-dioxaspiro[4.5]decan-9-yl]ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine is Fc1ccc(C2(CCNC3CCCc4ccccc43)CCOC3(CCOC3)C2)nc1.
What is the InChIKey of N-[2-[9-(5-fluoro-2-pyridinyl)-2,6-dioxaspiro[4.5]decan-9-yl]ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is NIBUEZWQAKFVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN2O2/c26-20-8-9-23(28-16-20)24(11-15-30-25(17-24)12-14-29-18-25)10-13-27-22-7-3-5-19-4-1-2-6-21(19)22/h1-2,4,6,8-9,16,22,27H,3,5,7,10-15,17-18H2.
What are the key properties of N-[2-[9-(5-fluoro-2-pyridinyl)-2,6-dioxaspiro[4.5]decan-9-yl]ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
N-[2-[9-(5-fluoro-2-pyridinyl)-2,6-dioxaspiro[4.5]decan-9-yl]ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 410.53 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[9-(5-fluoro-2-pyridinyl)-2,6-dioxaspiro[4.5]decan-9-yl]ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 155054126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).