N,N-dimethyl-1-(1-naphthalen-2-ylcyclohexyl)ethanamine;hydrochloride

C20H28ClN — CID 53318503

IUPACN,N-dimethyl-1-(1-naphthalen-2-ylcyclohexyl)ethanamine;hydrochloride
SMILESCC(N(C)C)C1(c2ccc3ccccc3c2)CCCCC1.Cl
InChIInChI=1S/C20H27N.ClH/c1-16(21(2)3)20(13-7-4-8-14-20)19-12-11-17-9-5-6-10-18(17)15-19;/h5-6,9-12,15-16H,4,7-8,13-14H2,1-3H3;1H
InChIKeyYQDMPWIZQSYQGP-UHFFFAOYSA-N
MW317.90 g/mol
LogP5.41
Rot. Bonds3

About N,N-dimethyl-1-(1-naphthalen-2-ylcyclohexyl)ethanamine;hydrochloride

N,N-dimethyl-1-(1-naphthalen-2-ylcyclohexyl)ethanamine;hydrochloride (PubChem CID 53318503) has the molecular formula C20H28ClN and a molecular weight of 317.90 g/mol. Its IUPAC name is N,N-dimethyl-1-(1-naphthalen-2-ylcyclohexyl)ethanamine;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-1-(1-naphthalen-2-ylcyclohexyl)ethanamine;hydrochloride
PubChem CID53318503
Molecular FormulaC20H28ClN
Molecular Weight317.90 g/mol
Exact Mass317.19
IUPAC NameN,N-dimethyl-1-(1-naphthalen-2-ylcyclohexyl)ethanamine;hydrochloride
SMILESCC(N(C)C)C1(c2ccc3ccccc3c2)CCCCC1.Cl
InChIInChI=1S/C20H27N.ClH/c1-16(21(2)3)20(13-7-4-8-14-20)19-12-11-17-9-5-6-10-18(17)15-19;/h5-6,9-12,15-16H,4,7-8,13-14H2,1-3H3;1H
InChIKeyYQDMPWIZQSYQGP-UHFFFAOYSA-N
XLogP5.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.90
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(1-naphthalen-2-ylcyclohexyl)ethanamine;hydrochloride?
The IUPAC name of N,N-dimethyl-1-(1-naphthalen-2-ylcyclohexyl)ethanamine;hydrochloride (CID 53318503) is N,N-dimethyl-1-(1-naphthalen-2-ylcyclohexyl)ethanamine;hydrochloride.
What is the SMILES notation for N,N-dimethyl-1-(1-naphthalen-2-ylcyclohexyl)ethanamine;hydrochloride?
The canonical SMILES for N,N-dimethyl-1-(1-naphthalen-2-ylcyclohexyl)ethanamine;hydrochloride is CC(N(C)C)C1(c2ccc3ccccc3c2)CCCCC1.Cl.
What is the InChIKey of N,N-dimethyl-1-(1-naphthalen-2-ylcyclohexyl)ethanamine;hydrochloride?
The InChIKey is YQDMPWIZQSYQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N.ClH/c1-16(21(2)3)20(13-7-4-8-14-20)19-12-11-17-9-5-6-10-18(17)15-19;/h5-6,9-12,15-16H,4,7-8,13-14H2,1-3H3;1H.
What are the key properties of N,N-dimethyl-1-(1-naphthalen-2-ylcyclohexyl)ethanamine;hydrochloride?
N,N-dimethyl-1-(1-naphthalen-2-ylcyclohexyl)ethanamine;hydrochloride has a molecular weight of 317.90 g/mol, XLogP of 5.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(1-naphthalen-2-ylcyclohexyl)ethanamine;hydrochloride is sourced from PubChem (CID 53318503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).