(2R)-8-(cyclohepten-1-yl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride

C19H28ClN — CID 18682908

IUPAC(2R)-8-(cyclohepten-1-yl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
SMILESCN(C)[C@@H]1CCc2cccc(C3=CCCCCC3)c2C1.Cl
InChIInChI=1S/C19H27N.ClH/c1-20(2)17-13-12-16-10-7-11-18(19(16)14-17)15-8-5-3-4-6-9-15;/h7-8,10-11,17H,3-6,9,12-14H2,1-2H3;1H/t17-;/m1./s1
InChIKeyWNQPXJSIOFFDTG-UNTBIKODSA-N
MW305.89 g/mol
LogP4.87
Rot. Bonds2

About (2R)-8-(cyclohepten-1-yl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride

(2R)-8-(cyclohepten-1-yl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride (PubChem CID 18682908) has the molecular formula C19H28ClN and a molecular weight of 305.89 g/mol. Its IUPAC name is (2R)-8-(cyclohepten-1-yl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride.

Molecular Properties

Compound Name(2R)-8-(cyclohepten-1-yl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
PubChem CID18682908
Molecular FormulaC19H28ClN
Molecular Weight305.89 g/mol
Exact Mass305.19
IUPAC Name(2R)-8-(cyclohepten-1-yl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
SMILESCN(C)[C@@H]1CCc2cccc(C3=CCCCCC3)c2C1.Cl
InChIInChI=1S/C19H27N.ClH/c1-20(2)17-13-12-16-10-7-11-18(19(16)14-17)15-8-5-3-4-6-9-15;/h7-8,10-11,17H,3-6,9,12-14H2,1-2H3;1H/t17-;/m1./s1
InChIKeyWNQPXJSIOFFDTG-UNTBIKODSA-N
XLogP4.87
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.89
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-8-(cyclohepten-1-yl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
The IUPAC name of (2R)-8-(cyclohepten-1-yl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride (CID 18682908) is (2R)-8-(cyclohepten-1-yl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride.
What is the SMILES notation for (2R)-8-(cyclohepten-1-yl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
The canonical SMILES for (2R)-8-(cyclohepten-1-yl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride is CN(C)[C@@H]1CCc2cccc(C3=CCCCCC3)c2C1.Cl.
What is the InChIKey of (2R)-8-(cyclohepten-1-yl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
The InChIKey is WNQPXJSIOFFDTG-UNTBIKODSA-N. The full InChI is InChI=1S/C19H27N.ClH/c1-20(2)17-13-12-16-10-7-11-18(19(16)14-17)15-8-5-3-4-6-9-15;/h7-8,10-11,17H,3-6,9,12-14H2,1-2H3;1H/t17-;/m1./s1.
What are the key properties of (2R)-8-(cyclohepten-1-yl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
(2R)-8-(cyclohepten-1-yl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride has a molecular weight of 305.89 g/mol, XLogP of 4.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-8-(cyclohepten-1-yl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride is sourced from PubChem (CID 18682908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).