N-(1,4-dioxan-2-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine

C15H27NO2 — CID 54893851

IUPACN-(1,4-dioxan-2-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
SMILESC1CCC2CC(NCC3COCCO3)CCC2C1
InChIInChI=1S/C15H27NO2/c1-2-4-13-9-14(6-5-12(13)3-1)16-10-15-11-17-7-8-18-15/h12-16H,1-11H2
InChIKeyNGDJNIWOALGADT-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.35
Rot. Bonds3

About N-(1,4-dioxan-2-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine

N-(1,4-dioxan-2-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine (PubChem CID 54893851) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is N-(1,4-dioxan-2-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-(1,4-dioxan-2-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
PubChem CID54893851
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC NameN-(1,4-dioxan-2-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
SMILESC1CCC2CC(NCC3COCCO3)CCC2C1
InChIInChI=1S/C15H27NO2/c1-2-4-13-9-14(6-5-12(13)3-1)16-10-15-11-17-7-8-18-15/h12-16H,1-11H2
InChIKeyNGDJNIWOALGADT-UHFFFAOYSA-N
XLogP2.35
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxan-2-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The IUPAC name of N-(1,4-dioxan-2-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine (CID 54893851) is N-(1,4-dioxan-2-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine.
What is the SMILES notation for N-(1,4-dioxan-2-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The canonical SMILES for N-(1,4-dioxan-2-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine is C1CCC2CC(NCC3COCCO3)CCC2C1.
What is the InChIKey of N-(1,4-dioxan-2-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The InChIKey is NGDJNIWOALGADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-2-4-13-9-14(6-5-12(13)3-1)16-10-15-11-17-7-8-18-15/h12-16H,1-11H2.
What are the key properties of N-(1,4-dioxan-2-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
N-(1,4-dioxan-2-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine has a molecular weight of 253.39 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxan-2-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine is sourced from PubChem (CID 54893851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).