6-N-methyl-6-N-propyl-5,6,7,8-tetrahydronaphthalene-1,6-diamine;dihydrochloride

C14H24Cl2N2 — CID 19773414

IUPAC6-N-methyl-6-N-propyl-5,6,7,8-tetrahydronaphthalene-1,6-diamine;dihydrochloride
SMILESCCCN(C)C1CCc2c(N)cccc2C1.Cl.Cl
InChIInChI=1S/C14H22N2.2ClH/c1-3-9-16(2)12-7-8-13-11(10-12)5-4-6-14(13)15;;/h4-6,12H,3,7-10,15H2,1-2H3;2*1H
InChIKeyDUIIPRCMALZYDE-UHFFFAOYSA-N
MW291.27 g/mol
LogP3.31
Rot. Bonds3

About 6-N-methyl-6-N-propyl-5,6,7,8-tetrahydronaphthalene-1,6-diamine;dihydrochloride

6-N-methyl-6-N-propyl-5,6,7,8-tetrahydronaphthalene-1,6-diamine;dihydrochloride (PubChem CID 19773414) has the molecular formula C14H24Cl2N2 and a molecular weight of 291.27 g/mol. Its IUPAC name is 6-N-methyl-6-N-propyl-5,6,7,8-tetrahydronaphthalene-1,6-diamine;dihydrochloride.

Molecular Properties

Compound Name6-N-methyl-6-N-propyl-5,6,7,8-tetrahydronaphthalene-1,6-diamine;dihydrochloride
PubChem CID19773414
Molecular FormulaC14H24Cl2N2
Molecular Weight291.27 g/mol
Exact Mass290.13
IUPAC Name6-N-methyl-6-N-propyl-5,6,7,8-tetrahydronaphthalene-1,6-diamine;dihydrochloride
SMILESCCCN(C)C1CCc2c(N)cccc2C1.Cl.Cl
InChIInChI=1S/C14H22N2.2ClH/c1-3-9-16(2)12-7-8-13-11(10-12)5-4-6-14(13)15;;/h4-6,12H,3,7-10,15H2,1-2H3;2*1H
InChIKeyDUIIPRCMALZYDE-UHFFFAOYSA-N
XLogP3.31
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-6-N-propyl-5,6,7,8-tetrahydronaphthalene-1,6-diamine;dihydrochloride?
The IUPAC name of 6-N-methyl-6-N-propyl-5,6,7,8-tetrahydronaphthalene-1,6-diamine;dihydrochloride (CID 19773414) is 6-N-methyl-6-N-propyl-5,6,7,8-tetrahydronaphthalene-1,6-diamine;dihydrochloride.
What is the SMILES notation for 6-N-methyl-6-N-propyl-5,6,7,8-tetrahydronaphthalene-1,6-diamine;dihydrochloride?
The canonical SMILES for 6-N-methyl-6-N-propyl-5,6,7,8-tetrahydronaphthalene-1,6-diamine;dihydrochloride is CCCN(C)C1CCc2c(N)cccc2C1.Cl.Cl.
What is the InChIKey of 6-N-methyl-6-N-propyl-5,6,7,8-tetrahydronaphthalene-1,6-diamine;dihydrochloride?
The InChIKey is DUIIPRCMALZYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2.2ClH/c1-3-9-16(2)12-7-8-13-11(10-12)5-4-6-14(13)15;;/h4-6,12H,3,7-10,15H2,1-2H3;2*1H.
What are the key properties of 6-N-methyl-6-N-propyl-5,6,7,8-tetrahydronaphthalene-1,6-diamine;dihydrochloride?
6-N-methyl-6-N-propyl-5,6,7,8-tetrahydronaphthalene-1,6-diamine;dihydrochloride has a molecular weight of 291.27 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-6-N-propyl-5,6,7,8-tetrahydronaphthalene-1,6-diamine;dihydrochloride is sourced from PubChem (CID 19773414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).