3-methyl-4-naphthalen-1-yl-N-propylbutan-2-amine

C18H25N — CID 54891258

IUPAC3-methyl-4-naphthalen-1-yl-N-propylbutan-2-amine
SMILESCCCNC(C)C(C)Cc1cccc2ccccc12
InChIInChI=1S/C18H25N/c1-4-12-19-15(3)14(2)13-17-10-7-9-16-8-5-6-11-18(16)17/h5-11,14-15,19H,4,12-13H2,1-3H3
InChIKeyYAXMUXBSWZEUOP-UHFFFAOYSA-N
MW255.41 g/mol
LogP4.41
Rot. Bonds6

About 3-methyl-4-naphthalen-1-yl-N-propylbutan-2-amine

3-methyl-4-naphthalen-1-yl-N-propylbutan-2-amine (PubChem CID 54891258) has the molecular formula C18H25N and a molecular weight of 255.41 g/mol. Its IUPAC name is 3-methyl-4-naphthalen-1-yl-N-propylbutan-2-amine.

Molecular Properties

Compound Name3-methyl-4-naphthalen-1-yl-N-propylbutan-2-amine
PubChem CID54891258
Molecular FormulaC18H25N
Molecular Weight255.41 g/mol
Exact Mass255.20
IUPAC Name3-methyl-4-naphthalen-1-yl-N-propylbutan-2-amine
SMILESCCCNC(C)C(C)Cc1cccc2ccccc12
InChIInChI=1S/C18H25N/c1-4-12-19-15(3)14(2)13-17-10-7-9-16-8-5-6-11-18(16)17/h5-11,14-15,19H,4,12-13H2,1-3H3
InChIKeyYAXMUXBSWZEUOP-UHFFFAOYSA-N
XLogP4.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-dimethyl-4-naphthalen-1-yl-N-propylbutan-1-amine
CID 81016240
1-naphthalen-1-yl-N-propylbut-3-en-2-amine
CID 105161170
1-methoxy-3-naphthalen-1-yl-N-propylpropan-2-amine
CID 55095273
2-methyl-3-naphthalen-1-ylpropane-1,1-diol
CID 20647931
N-[1-(furan-3-yl)-2-naphthalen-1-ylethyl]propan-1-amine
CID 61078930
3-methyl-1-naphthalen-1-ylhexan-2-amine
CID 61078654
(2R)-N-methyl-1-naphthalen-1-ylpropan-2-amine
CID 142942326
2-(naphthalen-1-ylmethyl)-N-propan-2-ylbutan-1-amine
CID 62531157
1-(2-chloropropyl)naphthalene
CID 12809422
3-benzyl-4-phenyl-N-propylbutan-2-amine
CID 66438552
N,4-dimethyl-3-(naphthalen-1-ylmethyl)pentan-2-amine
CID 62916002
N,2-dimethyl-3-naphthalen-1-ylpropan-1-amine
CID 62528877

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-naphthalen-1-yl-N-propylbutan-2-amine?
The IUPAC name of 3-methyl-4-naphthalen-1-yl-N-propylbutan-2-amine (CID 54891258) is 3-methyl-4-naphthalen-1-yl-N-propylbutan-2-amine.
What is the SMILES notation for 3-methyl-4-naphthalen-1-yl-N-propylbutan-2-amine?
The canonical SMILES for 3-methyl-4-naphthalen-1-yl-N-propylbutan-2-amine is CCCNC(C)C(C)Cc1cccc2ccccc12.
What is the InChIKey of 3-methyl-4-naphthalen-1-yl-N-propylbutan-2-amine?
The InChIKey is YAXMUXBSWZEUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N/c1-4-12-19-15(3)14(2)13-17-10-7-9-16-8-5-6-11-18(16)17/h5-11,14-15,19H,4,12-13H2,1-3H3.
What are the key properties of 3-methyl-4-naphthalen-1-yl-N-propylbutan-2-amine?
3-methyl-4-naphthalen-1-yl-N-propylbutan-2-amine has a molecular weight of 255.41 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-naphthalen-1-yl-N-propylbutan-2-amine is sourced from PubChem (CID 54891258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).