2-N-butyl-1-N-ethyl-2-N,4-dimethyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine

C18H30N2 — CID 115418822

IUPAC2-N-butyl-1-N-ethyl-2-N,4-dimethyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine
SMILESCCCCN(C)C1CC(C)c2ccccc2C1NCC
InChIInChI=1S/C18H30N2/c1-5-7-12-20(4)17-13-14(3)15-10-8-9-11-16(15)18(17)19-6-2/h8-11,14,17-19H,5-7,12-13H2,1-4H3
InChIKeyGFOGLTGOUNRTNA-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.94
Rot. Bonds6

About 2-N-butyl-1-N-ethyl-2-N,4-dimethyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine

2-N-butyl-1-N-ethyl-2-N,4-dimethyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine (PubChem CID 115418822) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 2-N-butyl-1-N-ethyl-2-N,4-dimethyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine.

Molecular Properties

Compound Name2-N-butyl-1-N-ethyl-2-N,4-dimethyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine
PubChem CID115418822
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name2-N-butyl-1-N-ethyl-2-N,4-dimethyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine
SMILESCCCCN(C)C1CC(C)c2ccccc2C1NCC
InChIInChI=1S/C18H30N2/c1-5-7-12-20(4)17-13-14(3)15-10-8-9-11-16(15)18(17)19-6-2/h8-11,14,17-19H,5-7,12-13H2,1-4H3
InChIKeyGFOGLTGOUNRTNA-UHFFFAOYSA-N
XLogP3.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N-butyl-1-N-ethyl-2-N,4-dimethyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine?
The IUPAC name of 2-N-butyl-1-N-ethyl-2-N,4-dimethyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine (CID 115418822) is 2-N-butyl-1-N-ethyl-2-N,4-dimethyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine.
What is the SMILES notation for 2-N-butyl-1-N-ethyl-2-N,4-dimethyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine?
The canonical SMILES for 2-N-butyl-1-N-ethyl-2-N,4-dimethyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine is CCCCN(C)C1CC(C)c2ccccc2C1NCC.
What is the InChIKey of 2-N-butyl-1-N-ethyl-2-N,4-dimethyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine?
The InChIKey is GFOGLTGOUNRTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-5-7-12-20(4)17-13-14(3)15-10-8-9-11-16(15)18(17)19-6-2/h8-11,14,17-19H,5-7,12-13H2,1-4H3.
What are the key properties of 2-N-butyl-1-N-ethyl-2-N,4-dimethyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine?
2-N-butyl-1-N-ethyl-2-N,4-dimethyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine has a molecular weight of 274.45 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butyl-1-N-ethyl-2-N,4-dimethyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine is sourced from PubChem (CID 115418822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).