2-ethyl-N-methyl-1-(2-methylnaphthalen-1-yl)hexan-1-amine

C20H29N — CID 81430727

IUPAC2-ethyl-N-methyl-1-(2-methylnaphthalen-1-yl)hexan-1-amine
SMILESCCCCC(CC)C(NC)c1c(C)ccc2ccccc12
InChIInChI=1S/C20H29N/c1-5-7-10-16(6-2)20(21-4)19-15(3)13-14-17-11-8-9-12-18(17)19/h8-9,11-14,16,20-21H,5-7,10H2,1-4H3
InChIKeyLPVXGTXEXBOCGO-UHFFFAOYSA-N
MW283.46 g/mol
LogP5.63
Rot. Bonds7

About 2-ethyl-N-methyl-1-(2-methylnaphthalen-1-yl)hexan-1-amine

2-ethyl-N-methyl-1-(2-methylnaphthalen-1-yl)hexan-1-amine (PubChem CID 81430727) has the molecular formula C20H29N and a molecular weight of 283.46 g/mol. Its IUPAC name is 2-ethyl-N-methyl-1-(2-methylnaphthalen-1-yl)hexan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-methyl-1-(2-methylnaphthalen-1-yl)hexan-1-amine
PubChem CID81430727
Molecular FormulaC20H29N
Molecular Weight283.46 g/mol
Exact Mass283.23
IUPAC Name2-ethyl-N-methyl-1-(2-methylnaphthalen-1-yl)hexan-1-amine
SMILESCCCCC(CC)C(NC)c1c(C)ccc2ccccc12
InChIInChI=1S/C20H29N/c1-5-7-10-16(6-2)20(21-4)19-15(3)13-14-17-11-8-9-12-18(17)19/h8-9,11-14,16,20-21H,5-7,10H2,1-4H3
InChIKeyLPVXGTXEXBOCGO-UHFFFAOYSA-N
XLogP5.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.46
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-methyl-1-(2-methylnaphthalen-1-yl)hexan-1-amine?
The IUPAC name of 2-ethyl-N-methyl-1-(2-methylnaphthalen-1-yl)hexan-1-amine (CID 81430727) is 2-ethyl-N-methyl-1-(2-methylnaphthalen-1-yl)hexan-1-amine.
What is the SMILES notation for 2-ethyl-N-methyl-1-(2-methylnaphthalen-1-yl)hexan-1-amine?
The canonical SMILES for 2-ethyl-N-methyl-1-(2-methylnaphthalen-1-yl)hexan-1-amine is CCCCC(CC)C(NC)c1c(C)ccc2ccccc12.
What is the InChIKey of 2-ethyl-N-methyl-1-(2-methylnaphthalen-1-yl)hexan-1-amine?
The InChIKey is LPVXGTXEXBOCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N/c1-5-7-10-16(6-2)20(21-4)19-15(3)13-14-17-11-8-9-12-18(17)19/h8-9,11-14,16,20-21H,5-7,10H2,1-4H3.
What are the key properties of 2-ethyl-N-methyl-1-(2-methylnaphthalen-1-yl)hexan-1-amine?
2-ethyl-N-methyl-1-(2-methylnaphthalen-1-yl)hexan-1-amine has a molecular weight of 283.46 g/mol, XLogP of 5.63, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-methyl-1-(2-methylnaphthalen-1-yl)hexan-1-amine is sourced from PubChem (CID 81430727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).