2-N-ethyl-2-N-[(1-methylpiperidin-4-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2,7-diamine

C19H31N3 — CID 21362812

IUPAC2-N-ethyl-2-N-[(1-methylpiperidin-4-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2,7-diamine
SMILESCCN(CC1CCN(C)CC1)C1CCc2ccc(N)cc2C1
InChIInChI=1S/C19H31N3/c1-3-22(14-15-8-10-21(2)11-9-15)19-7-5-16-4-6-18(20)12-17(16)13-19/h4,6,12,15,19H,3,5,7-11,13-14,20H2,1-2H3
InChIKeyGLXFWLITRSNGGU-UHFFFAOYSA-N
MW301.48 g/mol
LogP2.79
Rot. Bonds4

About 2-N-ethyl-2-N-[(1-methylpiperidin-4-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2,7-diamine

2-N-ethyl-2-N-[(1-methylpiperidin-4-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2,7-diamine (PubChem CID 21362812) has the molecular formula C19H31N3 and a molecular weight of 301.48 g/mol. Its IUPAC name is 2-N-ethyl-2-N-[(1-methylpiperidin-4-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2,7-diamine.

Molecular Properties

Compound Name2-N-ethyl-2-N-[(1-methylpiperidin-4-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2,7-diamine
PubChem CID21362812
Molecular FormulaC19H31N3
Molecular Weight301.48 g/mol
Exact Mass301.25
IUPAC Name2-N-ethyl-2-N-[(1-methylpiperidin-4-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2,7-diamine
SMILESCCN(CC1CCN(C)CC1)C1CCc2ccc(N)cc2C1
InChIInChI=1S/C19H31N3/c1-3-22(14-15-8-10-21(2)11-9-15)19-7-5-16-4-6-18(20)12-17(16)13-19/h4,6,12,15,19H,3,5,7-11,13-14,20H2,1-2H3
InChIKeyGLXFWLITRSNGGU-UHFFFAOYSA-N
XLogP2.79
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.48
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-2-N-[(1-methylpiperidin-4-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2,7-diamine?
The IUPAC name of 2-N-ethyl-2-N-[(1-methylpiperidin-4-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2,7-diamine (CID 21362812) is 2-N-ethyl-2-N-[(1-methylpiperidin-4-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2,7-diamine.
What is the SMILES notation for 2-N-ethyl-2-N-[(1-methylpiperidin-4-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2,7-diamine?
The canonical SMILES for 2-N-ethyl-2-N-[(1-methylpiperidin-4-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2,7-diamine is CCN(CC1CCN(C)CC1)C1CCc2ccc(N)cc2C1.
What is the InChIKey of 2-N-ethyl-2-N-[(1-methylpiperidin-4-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2,7-diamine?
The InChIKey is GLXFWLITRSNGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3/c1-3-22(14-15-8-10-21(2)11-9-15)19-7-5-16-4-6-18(20)12-17(16)13-19/h4,6,12,15,19H,3,5,7-11,13-14,20H2,1-2H3.
What are the key properties of 2-N-ethyl-2-N-[(1-methylpiperidin-4-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2,7-diamine?
2-N-ethyl-2-N-[(1-methylpiperidin-4-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2,7-diamine has a molecular weight of 301.48 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-2-N-[(1-methylpiperidin-4-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2,7-diamine is sourced from PubChem (CID 21362812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).