N,4-dimethyl-1-(2-methylnaphthalen-1-yl)pentan-1-amine

C18H25N — CID 81432711

IUPACN,4-dimethyl-1-(2-methylnaphthalen-1-yl)pentan-1-amine
SMILESCNC(CCC(C)C)c1c(C)ccc2ccccc12
InChIInChI=1S/C18H25N/c1-13(2)9-12-17(19-4)18-14(3)10-11-15-7-5-6-8-16(15)18/h5-8,10-11,13,17,19H,9,12H2,1-4H3
InChIKeyBOEBHEIBRGQCIK-UHFFFAOYSA-N
MW255.41 g/mol
LogP4.84
Rot. Bonds5

About N,4-dimethyl-1-(2-methylnaphthalen-1-yl)pentan-1-amine

N,4-dimethyl-1-(2-methylnaphthalen-1-yl)pentan-1-amine (PubChem CID 81432711) has the molecular formula C18H25N and a molecular weight of 255.41 g/mol. Its IUPAC name is N,4-dimethyl-1-(2-methylnaphthalen-1-yl)pentan-1-amine.

Molecular Properties

Compound NameN,4-dimethyl-1-(2-methylnaphthalen-1-yl)pentan-1-amine
PubChem CID81432711
Molecular FormulaC18H25N
Molecular Weight255.41 g/mol
Exact Mass255.20
IUPAC NameN,4-dimethyl-1-(2-methylnaphthalen-1-yl)pentan-1-amine
SMILESCNC(CCC(C)C)c1c(C)ccc2ccccc12
InChIInChI=1S/C18H25N/c1-13(2)9-12-17(19-4)18-14(3)10-11-15-7-5-6-8-16(15)18/h5-8,10-11,13,17,19H,9,12H2,1-4H3
InChIKeyBOEBHEIBRGQCIK-UHFFFAOYSA-N
XLogP4.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-1-(2-methylnaphthalen-1-yl)pentan-1-amine?
The IUPAC name of N,4-dimethyl-1-(2-methylnaphthalen-1-yl)pentan-1-amine (CID 81432711) is N,4-dimethyl-1-(2-methylnaphthalen-1-yl)pentan-1-amine.
What is the SMILES notation for N,4-dimethyl-1-(2-methylnaphthalen-1-yl)pentan-1-amine?
The canonical SMILES for N,4-dimethyl-1-(2-methylnaphthalen-1-yl)pentan-1-amine is CNC(CCC(C)C)c1c(C)ccc2ccccc12.
What is the InChIKey of N,4-dimethyl-1-(2-methylnaphthalen-1-yl)pentan-1-amine?
The InChIKey is BOEBHEIBRGQCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N/c1-13(2)9-12-17(19-4)18-14(3)10-11-15-7-5-6-8-16(15)18/h5-8,10-11,13,17,19H,9,12H2,1-4H3.
What are the key properties of N,4-dimethyl-1-(2-methylnaphthalen-1-yl)pentan-1-amine?
N,4-dimethyl-1-(2-methylnaphthalen-1-yl)pentan-1-amine has a molecular weight of 255.41 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-1-(2-methylnaphthalen-1-yl)pentan-1-amine is sourced from PubChem (CID 81432711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).