4-[1-(3,9-diazaspiro[5.5]undecan-3-yl)ethenyl]pyridin-2-amine

C16H24N4 — CID 143424336

IUPAC4-[1-(3,9-diazaspiro[5.5]undecan-3-yl)ethenyl]pyridin-2-amine
SMILESC=C(c1ccnc(N)c1)N1CCC2(CCNCC2)CC1
InChIInChI=1S/C16H24N4/c1-13(14-2-7-19-15(17)12-14)20-10-5-16(6-11-20)3-8-18-9-4-16/h2,7,12,18H,1,3-6,8-11H2,(H2,17,19)
InChIKeyWBENMFXLVBAFGO-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.10
Rot. Bonds2

About 4-[1-(3,9-diazaspiro[5.5]undecan-3-yl)ethenyl]pyridin-2-amine

4-[1-(3,9-diazaspiro[5.5]undecan-3-yl)ethenyl]pyridin-2-amine (PubChem CID 143424336) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 4-[1-(3,9-diazaspiro[5.5]undecan-3-yl)ethenyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[1-(3,9-diazaspiro[5.5]undecan-3-yl)ethenyl]pyridin-2-amine
PubChem CID143424336
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name4-[1-(3,9-diazaspiro[5.5]undecan-3-yl)ethenyl]pyridin-2-amine
SMILESC=C(c1ccnc(N)c1)N1CCC2(CCNCC2)CC1
InChIInChI=1S/C16H24N4/c1-13(14-2-7-19-15(17)12-14)20-10-5-16(6-11-20)3-8-18-9-4-16/h2,7,12,18H,1,3-6,8-11H2,(H2,17,19)
InChIKeyWBENMFXLVBAFGO-UHFFFAOYSA-N
XLogP2.10
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(3,9-diazaspiro[5.5]undecan-3-yl)ethenyl]pyridin-2-amine?
The IUPAC name of 4-[1-(3,9-diazaspiro[5.5]undecan-3-yl)ethenyl]pyridin-2-amine (CID 143424336) is 4-[1-(3,9-diazaspiro[5.5]undecan-3-yl)ethenyl]pyridin-2-amine.
What is the SMILES notation for 4-[1-(3,9-diazaspiro[5.5]undecan-3-yl)ethenyl]pyridin-2-amine?
The canonical SMILES for 4-[1-(3,9-diazaspiro[5.5]undecan-3-yl)ethenyl]pyridin-2-amine is C=C(c1ccnc(N)c1)N1CCC2(CCNCC2)CC1.
What is the InChIKey of 4-[1-(3,9-diazaspiro[5.5]undecan-3-yl)ethenyl]pyridin-2-amine?
The InChIKey is WBENMFXLVBAFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-13(14-2-7-19-15(17)12-14)20-10-5-16(6-11-20)3-8-18-9-4-16/h2,7,12,18H,1,3-6,8-11H2,(H2,17,19).
What are the key properties of 4-[1-(3,9-diazaspiro[5.5]undecan-3-yl)ethenyl]pyridin-2-amine?
4-[1-(3,9-diazaspiro[5.5]undecan-3-yl)ethenyl]pyridin-2-amine has a molecular weight of 272.40 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3,9-diazaspiro[5.5]undecan-3-yl)ethenyl]pyridin-2-amine is sourced from PubChem (CID 143424336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).