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

C12H23N — CID 167179387

IUPAC(2R)-N-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
SMILESCCN[C@@H]1CCC2CCCCC2C1
InChIInChI=1S/C12H23N/c1-2-13-12-8-7-10-5-3-4-6-11(10)9-12/h10-13H,2-9H2,1H3/t10?,11?,12-/m1/s1
InChIKeyBSKOEPGBKCSVOX-HTAVTVPLSA-N
MW181.32 g/mol
LogP2.95
Rot. Bonds2

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

(2R)-N-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine (PubChem CID 167179387) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is (2R)-N-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine.

Molecular Properties

Compound Name(2R)-N-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
PubChem CID167179387
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name(2R)-N-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
SMILESCCN[C@@H]1CCC2CCCCC2C1
InChIInChI=1S/C12H23N/c1-2-13-12-8-7-10-5-3-4-6-11(10)9-12/h10-13H,2-9H2,1H3/t10?,11?,12-/m1/s1
InChIKeyBSKOEPGBKCSVOX-HTAVTVPLSA-N
XLogP2.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The IUPAC name of (2R)-N-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine (CID 167179387) is (2R)-N-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine.
What is the SMILES notation for (2R)-N-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The canonical SMILES for (2R)-N-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine is CCN[C@@H]1CCC2CCCCC2C1.
What is the InChIKey of (2R)-N-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The InChIKey is BSKOEPGBKCSVOX-HTAVTVPLSA-N. The full InChI is InChI=1S/C12H23N/c1-2-13-12-8-7-10-5-3-4-6-11(10)9-12/h10-13H,2-9H2,1H3/t10?,11?,12-/m1/s1.
What are the key properties of (2R)-N-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
(2R)-N-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine has a molecular weight of 181.32 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine is sourced from PubChem (CID 167179387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).