N,3-dimethyl-1-naphthalen-2-ylpentan-1-amine

C17H23N — CID 62716073

IUPACN,3-dimethyl-1-naphthalen-2-ylpentan-1-amine
SMILESCCC(C)CC(NC)c1ccc2ccccc2c1
InChIInChI=1S/C17H23N/c1-4-13(2)11-17(18-3)16-10-9-14-7-5-6-8-15(14)12-16/h5-10,12-13,17-18H,4,11H2,1-3H3
InChIKeyXRRTYEVATHHZBO-UHFFFAOYSA-N
MW241.38 g/mol
LogP4.54
Rot. Bonds5

About N,3-dimethyl-1-naphthalen-2-ylpentan-1-amine

N,3-dimethyl-1-naphthalen-2-ylpentan-1-amine (PubChem CID 62716073) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is N,3-dimethyl-1-naphthalen-2-ylpentan-1-amine.

Molecular Properties

Compound NameN,3-dimethyl-1-naphthalen-2-ylpentan-1-amine
PubChem CID62716073
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC NameN,3-dimethyl-1-naphthalen-2-ylpentan-1-amine
SMILESCCC(C)CC(NC)c1ccc2ccccc2c1
InChIInChI=1S/C17H23N/c1-4-13(2)11-17(18-3)16-10-9-14-7-5-6-8-15(14)12-16/h5-10,12-13,17-18H,4,11H2,1-3H3
InChIKeyXRRTYEVATHHZBO-UHFFFAOYSA-N
XLogP4.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,4-dichlorophenyl)-N,3-dimethylpentan-1-amine
CID 81492431
1-(3-iodophenyl)-N,3-dimethylpentan-1-amine
CID 115846380
1-(3-fluorophenyl)-N,3-dimethylpentan-1-amine
CID 62607548
N-methyl-1-naphthalen-2-ylhexan-1-amine
CID 63416228
1-(4-fluoro-3-methylphenyl)-N,3-dimethylpentan-1-amine
CID 62601206
3-(methylamino)-3-naphthalen-2-ylpropanenitrile
CID 116955229
3-ethoxy-N-methyl-1-naphthalen-2-ylpropan-1-amine
CID 112688302
N,N-dimethyl-4-[3-methyl-1-(methylamino)pentyl]aniline
CID 105138453
N-methyl-2-(2-methylphenyl)-1-naphthalen-2-ylethanamine
CID 63417370
2-cyclopentylsulfinyl-N-methyl-1-naphthalen-2-ylethanamine
CID 64655445
N-methyl-1-naphthalen-2-yl-2-propylsulfonylethanamine
CID 64644731
N-methyl-1-naphthalen-2-yl-2-(2-propoxyethoxy)ethanamine
CID 63685085

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-1-naphthalen-2-ylpentan-1-amine?
The IUPAC name of N,3-dimethyl-1-naphthalen-2-ylpentan-1-amine (CID 62716073) is N,3-dimethyl-1-naphthalen-2-ylpentan-1-amine.
What is the SMILES notation for N,3-dimethyl-1-naphthalen-2-ylpentan-1-amine?
The canonical SMILES for N,3-dimethyl-1-naphthalen-2-ylpentan-1-amine is CCC(C)CC(NC)c1ccc2ccccc2c1.
What is the InChIKey of N,3-dimethyl-1-naphthalen-2-ylpentan-1-amine?
The InChIKey is XRRTYEVATHHZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N/c1-4-13(2)11-17(18-3)16-10-9-14-7-5-6-8-15(14)12-16/h5-10,12-13,17-18H,4,11H2,1-3H3.
What are the key properties of N,3-dimethyl-1-naphthalen-2-ylpentan-1-amine?
N,3-dimethyl-1-naphthalen-2-ylpentan-1-amine has a molecular weight of 241.38 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-1-naphthalen-2-ylpentan-1-amine is sourced from PubChem (CID 62716073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).