(6R)-6-N,6-N-dipropyl-5,6,7,8-tetrahydronaphthalene-1,6-diamine;dihydrochloride

C16H28Cl2N2 — CID 18650733

IUPAC(6R)-6-N,6-N-dipropyl-5,6,7,8-tetrahydronaphthalene-1,6-diamine;dihydrochloride
SMILESCCCN(CCC)[C@@H]1CCc2c(N)cccc2C1.Cl.Cl
InChIInChI=1S/C16H26N2.2ClH/c1-3-10-18(11-4-2)14-8-9-15-13(12-14)6-5-7-16(15)17;;/h5-7,14H,3-4,8-12,17H2,1-2H3;2*1H/t14-;;/m1../s1
InChIKeyAVRLOOODTVYLJU-FMOMHUKBSA-N
MW319.32 g/mol
LogP4.09
Rot. Bonds5

About (6R)-6-N,6-N-dipropyl-5,6,7,8-tetrahydronaphthalene-1,6-diamine;dihydrochloride

(6R)-6-N,6-N-dipropyl-5,6,7,8-tetrahydronaphthalene-1,6-diamine;dihydrochloride (PubChem CID 18650733) has the molecular formula C16H28Cl2N2 and a molecular weight of 319.32 g/mol. Its IUPAC name is (6R)-6-N,6-N-dipropyl-5,6,7,8-tetrahydronaphthalene-1,6-diamine;dihydrochloride.

Molecular Properties

Compound Name(6R)-6-N,6-N-dipropyl-5,6,7,8-tetrahydronaphthalene-1,6-diamine;dihydrochloride
PubChem CID18650733
Molecular FormulaC16H28Cl2N2
Molecular Weight319.32 g/mol
Exact Mass318.16
IUPAC Name(6R)-6-N,6-N-dipropyl-5,6,7,8-tetrahydronaphthalene-1,6-diamine;dihydrochloride
SMILESCCCN(CCC)[C@@H]1CCc2c(N)cccc2C1.Cl.Cl
InChIInChI=1S/C16H26N2.2ClH/c1-3-10-18(11-4-2)14-8-9-15-13(12-14)6-5-7-16(15)17;;/h5-7,14H,3-4,8-12,17H2,1-2H3;2*1H/t14-;;/m1../s1
InChIKeyAVRLOOODTVYLJU-FMOMHUKBSA-N
XLogP4.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 54.09
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 (6R)-6-N,6-N-dipropyl-5,6,7,8-tetrahydronaphthalene-1,6-diamine;dihydrochloride?
The IUPAC name of (6R)-6-N,6-N-dipropyl-5,6,7,8-tetrahydronaphthalene-1,6-diamine;dihydrochloride (CID 18650733) is (6R)-6-N,6-N-dipropyl-5,6,7,8-tetrahydronaphthalene-1,6-diamine;dihydrochloride.
What is the SMILES notation for (6R)-6-N,6-N-dipropyl-5,6,7,8-tetrahydronaphthalene-1,6-diamine;dihydrochloride?
The canonical SMILES for (6R)-6-N,6-N-dipropyl-5,6,7,8-tetrahydronaphthalene-1,6-diamine;dihydrochloride is CCCN(CCC)[C@@H]1CCc2c(N)cccc2C1.Cl.Cl.
What is the InChIKey of (6R)-6-N,6-N-dipropyl-5,6,7,8-tetrahydronaphthalene-1,6-diamine;dihydrochloride?
The InChIKey is AVRLOOODTVYLJU-FMOMHUKBSA-N. The full InChI is InChI=1S/C16H26N2.2ClH/c1-3-10-18(11-4-2)14-8-9-15-13(12-14)6-5-7-16(15)17;;/h5-7,14H,3-4,8-12,17H2,1-2H3;2*1H/t14-;;/m1../s1.
What are the key properties of (6R)-6-N,6-N-dipropyl-5,6,7,8-tetrahydronaphthalene-1,6-diamine;dihydrochloride?
(6R)-6-N,6-N-dipropyl-5,6,7,8-tetrahydronaphthalene-1,6-diamine;dihydrochloride has a molecular weight of 319.32 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-N,6-N-dipropyl-5,6,7,8-tetrahydronaphthalene-1,6-diamine;dihydrochloride is sourced from PubChem (CID 18650733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).