N-[1-(oxolan-2-yl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine

C16H29NO — CID 43435336

IUPACN-[1-(oxolan-2-yl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
SMILESCC(NC1CCC2CCCCC2C1)C1CCCO1
InChIInChI=1S/C16H29NO/c1-12(16-7-4-10-18-16)17-15-9-8-13-5-2-3-6-14(13)11-15/h12-17H,2-11H2,1H3
InChIKeyCNMGIJMODXXFNG-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.50
Rot. Bonds3

About N-[1-(oxolan-2-yl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine

N-[1-(oxolan-2-yl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine (PubChem CID 43435336) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is N-[1-(oxolan-2-yl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-[1-(oxolan-2-yl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
PubChem CID43435336
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC NameN-[1-(oxolan-2-yl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
SMILESCC(NC1CCC2CCCCC2C1)C1CCCO1
InChIInChI=1S/C16H29NO/c1-12(16-7-4-10-18-16)17-15-9-8-13-5-2-3-6-14(13)11-15/h12-17H,2-11H2,1H3
InChIKeyCNMGIJMODXXFNG-UHFFFAOYSA-N
XLogP3.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(oxolan-2-yl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The IUPAC name of N-[1-(oxolan-2-yl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine (CID 43435336) is N-[1-(oxolan-2-yl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine.
What is the SMILES notation for N-[1-(oxolan-2-yl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The canonical SMILES for N-[1-(oxolan-2-yl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine is CC(NC1CCC2CCCCC2C1)C1CCCO1.
What is the InChIKey of N-[1-(oxolan-2-yl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The InChIKey is CNMGIJMODXXFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-12(16-7-4-10-18-16)17-15-9-8-13-5-2-3-6-14(13)11-15/h12-17H,2-11H2,1H3.
What are the key properties of N-[1-(oxolan-2-yl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
N-[1-(oxolan-2-yl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine has a molecular weight of 251.41 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxolan-2-yl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine is sourced from PubChem (CID 43435336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).