2-(naphthalen-1-ylmethyl)-N-propan-2-ylbutan-1-amine

C18H25N — CID 62531157

IUPAC2-(naphthalen-1-ylmethyl)-N-propan-2-ylbutan-1-amine
SMILESCCC(CNC(C)C)Cc1cccc2ccccc12
InChIInChI=1S/C18H25N/c1-4-15(13-19-14(2)3)12-17-10-7-9-16-8-5-6-11-18(16)17/h5-11,14-15,19H,4,12-13H2,1-3H3
InChIKeyDOHUDMIWYGHMMO-UHFFFAOYSA-N
MW255.41 g/mol
LogP4.41
Rot. Bonds6

About 2-(naphthalen-1-ylmethyl)-N-propan-2-ylbutan-1-amine

2-(naphthalen-1-ylmethyl)-N-propan-2-ylbutan-1-amine (PubChem CID 62531157) has the molecular formula C18H25N and a molecular weight of 255.41 g/mol. Its IUPAC name is 2-(naphthalen-1-ylmethyl)-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name2-(naphthalen-1-ylmethyl)-N-propan-2-ylbutan-1-amine
PubChem CID62531157
Molecular FormulaC18H25N
Molecular Weight255.41 g/mol
Exact Mass255.20
IUPAC Name2-(naphthalen-1-ylmethyl)-N-propan-2-ylbutan-1-amine
SMILESCCC(CNC(C)C)Cc1cccc2ccccc12
InChIInChI=1S/C18H25N/c1-4-15(13-19-14(2)3)12-17-10-7-9-16-8-5-6-11-18(16)17/h5-11,14-15,19H,4,12-13H2,1-3H3
InChIKeyDOHUDMIWYGHMMO-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

1-[2-(chloromethyl)butyl]naphthalene
CID 66034781
2-benzyl-N-propan-2-ylbutan-1-amine
CID 62528668
N,2-dimethyl-3-naphthalen-1-ylpropan-1-amine
CID 62528877
1-(2-chloro-4-methylhexyl)naphthalene
CID 114876690
(2S)-1-naphthalen-1-ylbutan-2-amine
CID 178163209
(2R)-N-methyl-1-naphthalen-1-ylpropan-2-amine
CID 142942326
3-methyl-4-naphthalen-1-yl-N-propylbutan-2-amine
CID 54891258
1-(2-chloropropyl)naphthalene
CID 12809422
N,3-dimethyl-2-(naphthalen-1-ylmethyl)butan-1-amine
CID 62528945
2-[(naphthalen-1-ylmethylamino)methyl]butan-1-ol
CID 115250859
2,3-dimethyl-4-naphthalen-1-yl-N-propylbutan-1-amine
CID 81016240
1-(5-bromofuran-2-yl)-N-ethyl-2-naphthalen-1-ylethanamine
CID 63527036

Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-1-ylmethyl)-N-propan-2-ylbutan-1-amine?
The IUPAC name of 2-(naphthalen-1-ylmethyl)-N-propan-2-ylbutan-1-amine (CID 62531157) is 2-(naphthalen-1-ylmethyl)-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 2-(naphthalen-1-ylmethyl)-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 2-(naphthalen-1-ylmethyl)-N-propan-2-ylbutan-1-amine is CCC(CNC(C)C)Cc1cccc2ccccc12.
What is the InChIKey of 2-(naphthalen-1-ylmethyl)-N-propan-2-ylbutan-1-amine?
The InChIKey is DOHUDMIWYGHMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N/c1-4-15(13-19-14(2)3)12-17-10-7-9-16-8-5-6-11-18(16)17/h5-11,14-15,19H,4,12-13H2,1-3H3.
What are the key properties of 2-(naphthalen-1-ylmethyl)-N-propan-2-ylbutan-1-amine?
2-(naphthalen-1-ylmethyl)-N-propan-2-ylbutan-1-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 2-(naphthalen-1-ylmethyl)-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 62531157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).