N-[2-(1,3-dioxan-2-yl)ethyl]-N-ethylnaphthalen-1-amine

C18H23NO2 — CID 66473711

IUPACN-[2-(1,3-dioxan-2-yl)ethyl]-N-ethylnaphthalen-1-amine
SMILESCCN(CCC1OCCCO1)c1cccc2ccccc12
InChIInChI=1S/C18H23NO2/c1-2-19(12-11-18-20-13-6-14-21-18)17-10-5-8-15-7-3-4-9-16(15)17/h3-5,7-10,18H,2,6,11-14H2,1H3
InChIKeyCPYPBHODCAVIPO-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.82
Rot. Bonds5

About N-[2-(1,3-dioxan-2-yl)ethyl]-N-ethylnaphthalen-1-amine

N-[2-(1,3-dioxan-2-yl)ethyl]-N-ethylnaphthalen-1-amine (PubChem CID 66473711) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[2-(1,3-dioxan-2-yl)ethyl]-N-ethylnaphthalen-1-amine.

Molecular Properties

Compound NameN-[2-(1,3-dioxan-2-yl)ethyl]-N-ethylnaphthalen-1-amine
PubChem CID66473711
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC NameN-[2-(1,3-dioxan-2-yl)ethyl]-N-ethylnaphthalen-1-amine
SMILESCCN(CCC1OCCCO1)c1cccc2ccccc12
InChIInChI=1S/C18H23NO2/c1-2-19(12-11-18-20-13-6-14-21-18)17-10-5-8-15-7-3-4-9-16(15)17/h3-5,7-10,18H,2,6,11-14H2,1H3
InChIKeyCPYPBHODCAVIPO-UHFFFAOYSA-N
XLogP3.82
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-dioxan-2-yl)ethyl]-N-ethylnaphthalen-1-amine?
The IUPAC name of N-[2-(1,3-dioxan-2-yl)ethyl]-N-ethylnaphthalen-1-amine (CID 66473711) is N-[2-(1,3-dioxan-2-yl)ethyl]-N-ethylnaphthalen-1-amine.
What is the SMILES notation for N-[2-(1,3-dioxan-2-yl)ethyl]-N-ethylnaphthalen-1-amine?
The canonical SMILES for N-[2-(1,3-dioxan-2-yl)ethyl]-N-ethylnaphthalen-1-amine is CCN(CCC1OCCCO1)c1cccc2ccccc12.
What is the InChIKey of N-[2-(1,3-dioxan-2-yl)ethyl]-N-ethylnaphthalen-1-amine?
The InChIKey is CPYPBHODCAVIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-2-19(12-11-18-20-13-6-14-21-18)17-10-5-8-15-7-3-4-9-16(15)17/h3-5,7-10,18H,2,6,11-14H2,1H3.
What are the key properties of N-[2-(1,3-dioxan-2-yl)ethyl]-N-ethylnaphthalen-1-amine?
N-[2-(1,3-dioxan-2-yl)ethyl]-N-ethylnaphthalen-1-amine has a molecular weight of 285.39 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-dioxan-2-yl)ethyl]-N-ethylnaphthalen-1-amine is sourced from PubChem (CID 66473711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).