4-butyl-N-methylnaphthalen-1-amine

C15H19N — CID 174691031

IUPAC4-butyl-N-methylnaphthalen-1-amine
SMILESCCCCc1ccc(NC)c2ccccc12
InChIInChI=1S/C15H19N/c1-3-4-7-12-10-11-15(16-2)14-9-6-5-8-13(12)14/h5-6,8-11,16H,3-4,7H2,1-2H3
InChIKeyYFQPZIQWSGPBAR-UHFFFAOYSA-N
MW213.32 g/mol
LogP4.22
Rot. Bonds4

About 4-butyl-N-methylnaphthalen-1-amine

4-butyl-N-methylnaphthalen-1-amine (PubChem CID 174691031) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is 4-butyl-N-methylnaphthalen-1-amine.

Molecular Properties

Compound Name4-butyl-N-methylnaphthalen-1-amine
PubChem CID174691031
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Name4-butyl-N-methylnaphthalen-1-amine
SMILESCCCCc1ccc(NC)c2ccccc12
InChIInChI=1S/C15H19N/c1-3-4-7-12-10-11-15(16-2)14-9-6-5-8-13(12)14/h5-6,8-11,16H,3-4,7H2,1-2H3
InChIKeyYFQPZIQWSGPBAR-UHFFFAOYSA-N
XLogP4.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-butyl-N-methylaniline;hydrochloride
CID 67695617
1-heptyl-4-[3-(4-heptylnaphthalen-1-yl)propyl]naphthalene
CID 157140020
1-hexyl-4-propylnaphthalene
CID 173269452
1-butylnaphthalene;ethane
CID 142087052
1-butyl-4-cyclohexylnaphthalene
CID 173269132
3-decyl-N-methylnaphthalen-2-amine
CID 174703904
ethane;5-ethyl-N-methylnaphthalen-1-amine
CID 143402697
N-ethyl-4-[[4-(ethylamino)naphthalen-1-yl]methyl]naphthalen-1-amine
CID 19796050
azane;1-butylnaphthalene;methane
CID 174691035
2-butyl-1-(2-butylnaphthalen-1-yl)naphthalene
CID 59129933
4-butylnaphthalene-1-sulfinic acid
CID 53229958
1-decyl-N-methylnaphthalen-2-amine
CID 174691117

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-methylnaphthalen-1-amine?
The IUPAC name of 4-butyl-N-methylnaphthalen-1-amine (CID 174691031) is 4-butyl-N-methylnaphthalen-1-amine.
What is the SMILES notation for 4-butyl-N-methylnaphthalen-1-amine?
The canonical SMILES for 4-butyl-N-methylnaphthalen-1-amine is CCCCc1ccc(NC)c2ccccc12.
What is the InChIKey of 4-butyl-N-methylnaphthalen-1-amine?
The InChIKey is YFQPZIQWSGPBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N/c1-3-4-7-12-10-11-15(16-2)14-9-6-5-8-13(12)14/h5-6,8-11,16H,3-4,7H2,1-2H3.
What are the key properties of 4-butyl-N-methylnaphthalen-1-amine?
4-butyl-N-methylnaphthalen-1-amine has a molecular weight of 213.32 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-methylnaphthalen-1-amine is sourced from PubChem (CID 174691031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).