(2R,3R)-1-naphthalen-1-yl-1,2,3,4,4a,5,6,7-octahydronaphthalene-2,3-diamine

C20H24N2 — CID 91214634

IUPAC(2R,3R)-1-naphthalen-1-yl-1,2,3,4,4a,5,6,7-octahydronaphthalene-2,3-diamine
SMILESN[C@@H]1CC2CCCC=C2C(c2cccc3ccccc23)[C@H]1N
InChIInChI=1S/C20H24N2/c21-18-12-14-7-2-4-10-16(14)19(20(18)22)17-11-5-8-13-6-1-3-9-15(13)17/h1,3,5-6,8-11,14,18-20H,2,4,7,12,21-22H2/t14?,18-,19?,20+/m1/s1
InChIKeyFLVITTFKFQKCMO-DVMGTHGPSA-N
MW292.43 g/mol
LogP3.71
Rot. Bonds1

About (2R,3R)-1-naphthalen-1-yl-1,2,3,4,4a,5,6,7-octahydronaphthalene-2,3-diamine

(2R,3R)-1-naphthalen-1-yl-1,2,3,4,4a,5,6,7-octahydronaphthalene-2,3-diamine (PubChem CID 91214634) has the molecular formula C20H24N2 and a molecular weight of 292.43 g/mol. Its IUPAC name is (2R,3R)-1-naphthalen-1-yl-1,2,3,4,4a,5,6,7-octahydronaphthalene-2,3-diamine.

Molecular Properties

Compound Name(2R,3R)-1-naphthalen-1-yl-1,2,3,4,4a,5,6,7-octahydronaphthalene-2,3-diamine
PubChem CID91214634
Molecular FormulaC20H24N2
Molecular Weight292.43 g/mol
Exact Mass292.19
IUPAC Name(2R,3R)-1-naphthalen-1-yl-1,2,3,4,4a,5,6,7-octahydronaphthalene-2,3-diamine
SMILESN[C@@H]1CC2CCCC=C2C(c2cccc3ccccc23)[C@H]1N
InChIInChI=1S/C20H24N2/c21-18-12-14-7-2-4-10-16(14)19(20(18)22)17-11-5-8-13-6-1-3-9-15(13)17/h1,3,5-6,8-11,14,18-20H,2,4,7,12,21-22H2/t14?,18-,19?,20+/m1/s1
InChIKeyFLVITTFKFQKCMO-DVMGTHGPSA-N
XLogP3.71
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1-naphthalen-1-yl-1,2,3,4,4a,5,6,7-octahydronaphthalene-2,3-diamine?
The IUPAC name of (2R,3R)-1-naphthalen-1-yl-1,2,3,4,4a,5,6,7-octahydronaphthalene-2,3-diamine (CID 91214634) is (2R,3R)-1-naphthalen-1-yl-1,2,3,4,4a,5,6,7-octahydronaphthalene-2,3-diamine.
What is the SMILES notation for (2R,3R)-1-naphthalen-1-yl-1,2,3,4,4a,5,6,7-octahydronaphthalene-2,3-diamine?
The canonical SMILES for (2R,3R)-1-naphthalen-1-yl-1,2,3,4,4a,5,6,7-octahydronaphthalene-2,3-diamine is N[C@@H]1CC2CCCC=C2C(c2cccc3ccccc23)[C@H]1N.
What is the InChIKey of (2R,3R)-1-naphthalen-1-yl-1,2,3,4,4a,5,6,7-octahydronaphthalene-2,3-diamine?
The InChIKey is FLVITTFKFQKCMO-DVMGTHGPSA-N. The full InChI is InChI=1S/C20H24N2/c21-18-12-14-7-2-4-10-16(14)19(20(18)22)17-11-5-8-13-6-1-3-9-15(13)17/h1,3,5-6,8-11,14,18-20H,2,4,7,12,21-22H2/t14?,18-,19?,20+/m1/s1.
What are the key properties of (2R,3R)-1-naphthalen-1-yl-1,2,3,4,4a,5,6,7-octahydronaphthalene-2,3-diamine?
(2R,3R)-1-naphthalen-1-yl-1,2,3,4,4a,5,6,7-octahydronaphthalene-2,3-diamine has a molecular weight of 292.43 g/mol, XLogP of 3.71, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1-naphthalen-1-yl-1,2,3,4,4a,5,6,7-octahydronaphthalene-2,3-diamine is sourced from PubChem (CID 91214634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).