(2R,4S)-4-cyclohexyl-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride

C18H28ClN — CID 118729234

IUPAC(2R,4S)-4-cyclohexyl-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
SMILESCN(C)[C@H]1Cc2ccccc2[C@H](C2CCCCC2)C1.Cl
InChIInChI=1S/C18H27N.ClH/c1-19(2)16-12-15-10-6-7-11-17(15)18(13-16)14-8-4-3-5-9-14;/h6-7,10-11,14,16,18H,3-5,8-9,12-13H2,1-2H3;1H/t16-,18-;/m0./s1
InChIKeyLHQSWMFACCZGMC-AKXYIILFSA-N
MW293.88 g/mol
LogP4.65
Rot. Bonds2

About (2R,4S)-4-cyclohexyl-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride

(2R,4S)-4-cyclohexyl-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride (PubChem CID 118729234) has the molecular formula C18H28ClN and a molecular weight of 293.88 g/mol. Its IUPAC name is (2R,4S)-4-cyclohexyl-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride.

Molecular Properties

Compound Name(2R,4S)-4-cyclohexyl-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
PubChem CID118729234
Molecular FormulaC18H28ClN
Molecular Weight293.88 g/mol
Exact Mass293.19
IUPAC Name(2R,4S)-4-cyclohexyl-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
SMILESCN(C)[C@H]1Cc2ccccc2[C@H](C2CCCCC2)C1.Cl
InChIInChI=1S/C18H27N.ClH/c1-19(2)16-12-15-10-6-7-11-17(15)18(13-16)14-8-4-3-5-9-14;/h6-7,10-11,14,16,18H,3-5,8-9,12-13H2,1-2H3;1H/t16-,18-;/m0./s1
InChIKeyLHQSWMFACCZGMC-AKXYIILFSA-N
XLogP4.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.88
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-cyclohexyl-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
The IUPAC name of (2R,4S)-4-cyclohexyl-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride (CID 118729234) is (2R,4S)-4-cyclohexyl-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride.
What is the SMILES notation for (2R,4S)-4-cyclohexyl-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
The canonical SMILES for (2R,4S)-4-cyclohexyl-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride is CN(C)[C@H]1Cc2ccccc2[C@H](C2CCCCC2)C1.Cl.
What is the InChIKey of (2R,4S)-4-cyclohexyl-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
The InChIKey is LHQSWMFACCZGMC-AKXYIILFSA-N. The full InChI is InChI=1S/C18H27N.ClH/c1-19(2)16-12-15-10-6-7-11-17(15)18(13-16)14-8-4-3-5-9-14;/h6-7,10-11,14,16,18H,3-5,8-9,12-13H2,1-2H3;1H/t16-,18-;/m0./s1.
What are the key properties of (2R,4S)-4-cyclohexyl-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
(2R,4S)-4-cyclohexyl-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride has a molecular weight of 293.88 g/mol, XLogP of 4.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-cyclohexyl-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride is sourced from PubChem (CID 118729234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).