2,3-dimethyl-4-naphthalen-1-yl-N-propylbutan-1-amine

C19H27N — CID 81016240

IUPAC2,3-dimethyl-4-naphthalen-1-yl-N-propylbutan-1-amine
SMILESCCCNCC(C)C(C)Cc1cccc2ccccc12
InChIInChI=1S/C19H27N/c1-4-12-20-14-16(3)15(2)13-18-10-7-9-17-8-5-6-11-19(17)18/h5-11,15-16,20H,4,12-14H2,1-3H3
InChIKeyILZCLRJOMRVOGT-UHFFFAOYSA-N
MW269.43 g/mol
LogP4.65
Rot. Bonds7

About 2,3-dimethyl-4-naphthalen-1-yl-N-propylbutan-1-amine

2,3-dimethyl-4-naphthalen-1-yl-N-propylbutan-1-amine (PubChem CID 81016240) has the molecular formula C19H27N and a molecular weight of 269.43 g/mol. Its IUPAC name is 2,3-dimethyl-4-naphthalen-1-yl-N-propylbutan-1-amine.

Molecular Properties

Compound Name2,3-dimethyl-4-naphthalen-1-yl-N-propylbutan-1-amine
PubChem CID81016240
Molecular FormulaC19H27N
Molecular Weight269.43 g/mol
Exact Mass269.21
IUPAC Name2,3-dimethyl-4-naphthalen-1-yl-N-propylbutan-1-amine
SMILESCCCNCC(C)C(C)Cc1cccc2ccccc12
InChIInChI=1S/C19H27N/c1-4-12-20-14-16(3)15(2)13-18-10-7-9-17-8-5-6-11-19(17)18/h5-11,15-16,20H,4,12-14H2,1-3H3
InChIKeyILZCLRJOMRVOGT-UHFFFAOYSA-N
XLogP4.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methyl-4-naphthalen-1-yl-N-propylbutan-2-amine
CID 54891258
2-methyl-3-naphthalen-1-ylpropane-1,1-diol
CID 20647931
4-(2,5-dimethylphenyl)-2,3-dimethyl-N-propylbutan-1-amine
CID 81016684
N,3-dimethyl-2-(naphthalen-1-ylmethyl)butan-1-amine
CID 62528945
N,2-dimethyl-3-naphthalen-1-ylpropan-1-amine
CID 62528877
3-methyl-1-naphthalen-1-ylhexan-2-amine
CID 61078654
1-naphthalen-1-yl-N-propylbut-3-en-2-amine
CID 105161170
4-(3-chlorophenyl)-2,3-dimethyl-N-propylbutan-1-amine
CID 81015822
(2R)-N-methyl-1-naphthalen-1-ylpropan-2-amine
CID 142942326
2-(naphthalen-1-ylmethyl)-N-propan-2-ylbutan-1-amine
CID 62531157
1-methoxy-3-naphthalen-1-yl-N-propylpropan-2-amine
CID 55095273
1-(2-chloropropyl)naphthalene
CID 12809422

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4-naphthalen-1-yl-N-propylbutan-1-amine?
The IUPAC name of 2,3-dimethyl-4-naphthalen-1-yl-N-propylbutan-1-amine (CID 81016240) is 2,3-dimethyl-4-naphthalen-1-yl-N-propylbutan-1-amine.
What is the SMILES notation for 2,3-dimethyl-4-naphthalen-1-yl-N-propylbutan-1-amine?
The canonical SMILES for 2,3-dimethyl-4-naphthalen-1-yl-N-propylbutan-1-amine is CCCNCC(C)C(C)Cc1cccc2ccccc12.
What is the InChIKey of 2,3-dimethyl-4-naphthalen-1-yl-N-propylbutan-1-amine?
The InChIKey is ILZCLRJOMRVOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N/c1-4-12-20-14-16(3)15(2)13-18-10-7-9-17-8-5-6-11-19(17)18/h5-11,15-16,20H,4,12-14H2,1-3H3.
What are the key properties of 2,3-dimethyl-4-naphthalen-1-yl-N-propylbutan-1-amine?
2,3-dimethyl-4-naphthalen-1-yl-N-propylbutan-1-amine has a molecular weight of 269.43 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4-naphthalen-1-yl-N-propylbutan-1-amine is sourced from PubChem (CID 81016240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).