N-methyl-2-(4-methylpentyl)-1,2,3,4-tetrahydronaphthalen-1-amine

C17H27N — CID 83157787

IUPACN-methyl-2-(4-methylpentyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCNC1c2ccccc2CCC1CCCC(C)C
InChIInChI=1S/C17H27N/c1-13(2)7-6-9-15-12-11-14-8-4-5-10-16(14)17(15)18-3/h4-5,8,10,13,15,17-18H,6-7,9,11-12H2,1-3H3
InChIKeyFFUWYZUAGUMYLS-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.34
Rot. Bonds5

About N-methyl-2-(4-methylpentyl)-1,2,3,4-tetrahydronaphthalen-1-amine

N-methyl-2-(4-methylpentyl)-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 83157787) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is N-methyl-2-(4-methylpentyl)-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-methyl-2-(4-methylpentyl)-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID83157787
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC NameN-methyl-2-(4-methylpentyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCNC1c2ccccc2CCC1CCCC(C)C
InChIInChI=1S/C17H27N/c1-13(2)7-6-9-15-12-11-14-8-4-5-10-16(14)17(15)18-3/h4-5,8,10,13,15,17-18H,6-7,9,11-12H2,1-3H3
InChIKeyFFUWYZUAGUMYLS-UHFFFAOYSA-N
XLogP4.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-ethylsulfanylethyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 113473884
N-methyl-2-(2-phenylsulfanylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79228511
N-methyl-2-(2-methylpropylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64646813
N-methyl-6-(3-methylsulfonylpropyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63191536
2-[(2-chlorophenyl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63400274
2-[(3,5-dimethylphenyl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63399923
N-methyl-2-propan-2-ylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64676003
N-methyl-6-(3-methylbutylsulfinyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 107760436
2-(4-methylpentyl)-1,2,3,4-tetrahydronaphthalene
CID 102001272
N-methyl-2-(4,4,4-trifluorobutoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 82788201
2-(2-methylpropyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63403727
2-butyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 10856608

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methylpentyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-methyl-2-(4-methylpentyl)-1,2,3,4-tetrahydronaphthalen-1-amine (CID 83157787) is N-methyl-2-(4-methylpentyl)-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-methyl-2-(4-methylpentyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-methyl-2-(4-methylpentyl)-1,2,3,4-tetrahydronaphthalen-1-amine is CNC1c2ccccc2CCC1CCCC(C)C.
What is the InChIKey of N-methyl-2-(4-methylpentyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is FFUWYZUAGUMYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-13(2)7-6-9-15-12-11-14-8-4-5-10-16(14)17(15)18-3/h4-5,8,10,13,15,17-18H,6-7,9,11-12H2,1-3H3.
What are the key properties of N-methyl-2-(4-methylpentyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
N-methyl-2-(4-methylpentyl)-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 245.41 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-methylpentyl)-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 83157787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).