N,8-dimethyl-N-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine

C16H25N — CID 58777905

IUPACN,8-dimethyl-N-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCc1cccc2c1CC(N(C)CC(C)C)CC2
InChIInChI=1S/C16H25N/c1-12(2)11-17(4)15-9-8-14-7-5-6-13(3)16(14)10-15/h5-7,12,15H,8-11H2,1-4H3
InChIKeyMHLQIJDSXBJABA-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.44
Rot. Bonds3

About N,8-dimethyl-N-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine

N,8-dimethyl-N-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 58777905) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is N,8-dimethyl-N-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound NameN,8-dimethyl-N-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID58777905
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC NameN,8-dimethyl-N-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCc1cccc2c1CC(N(C)CC(C)C)CC2
InChIInChI=1S/C16H25N/c1-12(2)11-17(4)15-9-8-14-7-5-6-13(3)16(14)10-15/h5-7,12,15H,8-11H2,1-4H3
InChIKeyMHLQIJDSXBJABA-UHFFFAOYSA-N
XLogP3.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,8-dimethyl-N-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of N,8-dimethyl-N-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine (CID 58777905) is N,8-dimethyl-N-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for N,8-dimethyl-N-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for N,8-dimethyl-N-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine is Cc1cccc2c1CC(N(C)CC(C)C)CC2.
What is the InChIKey of N,8-dimethyl-N-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is MHLQIJDSXBJABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-12(2)11-17(4)15-9-8-14-7-5-6-13(3)16(14)10-15/h5-7,12,15H,8-11H2,1-4H3.
What are the key properties of N,8-dimethyl-N-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
N,8-dimethyl-N-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 231.38 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,8-dimethyl-N-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 58777905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).