3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)pentanenitrile

C15H26N2 — CID 55101555

IUPAC3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)pentanenitrile
SMILESCCC(CC#N)NC1CCC2CCCCC2C1
InChIInChI=1S/C15H26N2/c1-2-14(9-10-16)17-15-8-7-12-5-3-4-6-13(12)11-15/h12-15,17H,2-9,11H2,1H3
InChIKeyIWXISXPBWQFNKF-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.63
Rot. Bonds4

About 3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)pentanenitrile

3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)pentanenitrile (PubChem CID 55101555) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)pentanenitrile.

Molecular Properties

Compound Name3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)pentanenitrile
PubChem CID55101555
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)pentanenitrile
SMILESCCC(CC#N)NC1CCC2CCCCC2C1
InChIInChI=1S/C15H26N2/c1-2-14(9-10-16)17-15-8-7-12-5-3-4-6-13(12)11-15/h12-15,17H,2-9,11H2,1H3
InChIKeyIWXISXPBWQFNKF-UHFFFAOYSA-N
XLogP3.63
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)pentanenitrile?
The IUPAC name of 3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)pentanenitrile (CID 55101555) is 3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)pentanenitrile.
What is the SMILES notation for 3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)pentanenitrile?
The canonical SMILES for 3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)pentanenitrile is CCC(CC#N)NC1CCC2CCCCC2C1.
What is the InChIKey of 3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)pentanenitrile?
The InChIKey is IWXISXPBWQFNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-2-14(9-10-16)17-15-8-7-12-5-3-4-6-13(12)11-15/h12-15,17H,2-9,11H2,1H3.
What are the key properties of 3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)pentanenitrile?
3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)pentanenitrile has a molecular weight of 234.39 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)pentanenitrile is sourced from PubChem (CID 55101555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).