1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-ethylethanamine

C14H27N — CID 115781927

IUPAC1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-ethylethanamine
SMILESCCNC(C)C1CCC2CCCCC2C1
InChIInChI=1S/C14H27N/c1-3-15-11(2)13-9-8-12-6-4-5-7-14(12)10-13/h11-15H,3-10H2,1-2H3
InChIKeyRPKKNMIGFBFWJV-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.59
Rot. Bonds3

About 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-ethylethanamine

1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-ethylethanamine (PubChem CID 115781927) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-ethylethanamine
PubChem CID115781927
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-ethylethanamine
SMILESCCNC(C)C1CCC2CCCCC2C1
InChIInChI=1S/C14H27N/c1-3-15-11(2)13-9-8-12-6-4-5-7-14(12)10-13/h11-15H,3-10H2,1-2H3
InChIKeyRPKKNMIGFBFWJV-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopentyl-N-ethylethanamine
CID 60819244
(1S)-1-cyclopropyl-N-ethylethanamine
CID 42056539
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)ethylhydrazine
CID 105282551
(2R,4aS,8aR)-2-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 129374932
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-cyclopropyl-N-methylmethanamine
CID 104994252
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methylpentan-1-amine
CID 107893950
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)butan-1-ol
CID 115780854
1-(1-cyclopentylsulfonylpiperidin-4-yl)-N-ethylethanamine
CID 105360397
2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)propan-1-amine
CID 83906614
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-propylpent-3-yn-1-amine
CID 115819269
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-4-methoxy-2-methyl-N-propylbutan-1-amine
CID 105044293
N-(2-cyclopropylpropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 115592687

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-ethylethanamine?
The IUPAC name of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-ethylethanamine (CID 115781927) is 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-ethylethanamine.
What is the SMILES notation for 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-ethylethanamine?
The canonical SMILES for 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-ethylethanamine is CCNC(C)C1CCC2CCCCC2C1.
What is the InChIKey of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-ethylethanamine?
The InChIKey is RPKKNMIGFBFWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-3-15-11(2)13-9-8-12-6-4-5-7-14(12)10-13/h11-15H,3-10H2,1-2H3.
What are the key properties of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-ethylethanamine?
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-ethylethanamine has a molecular weight of 209.38 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-ethylethanamine is sourced from PubChem (CID 115781927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).