(2S,3S,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,3-diamine

C10H20N2 — CID 102461320

IUPAC(2S,3S,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,3-diamine
SMILESN[C@H]1C[C@H]2CCCC[C@@H]2C[C@@H]1N
InChIInChI=1S/C10H20N2/c11-9-5-7-3-1-2-4-8(7)6-10(9)12/h7-10H,1-6,11-12H2/t7-,8-,9+,10+/m1/s1
InChIKeyLEHVFMWPPKBCDK-IMSYWVGJSA-N
MW168.28 g/mol
LogP1.24
Rot. Bonds

About (2S,3S,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,3-diamine

(2S,3S,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,3-diamine (PubChem CID 102461320) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is (2S,3S,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,3-diamine.

Molecular Properties

Compound Name(2S,3S,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,3-diamine
PubChem CID102461320
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name(2S,3S,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,3-diamine
SMILESN[C@H]1C[C@H]2CCCC[C@@H]2C[C@@H]1N
InChIInChI=1S/C10H20N2/c11-9-5-7-3-1-2-4-8(7)6-10(9)12/h7-10H,1-6,11-12H2/t7-,8-,9+,10+/m1/s1
InChIKeyLEHVFMWPPKBCDK-IMSYWVGJSA-N
XLogP1.24
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,3-diamine
CID 18958568
(2S,3S,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,3-diamine
CID 102239581
(1R,6S,7R)-bicyclo[4.2.0]octan-7-amine
CID 124833630
(1R,6S)-bicyclo[4.1.0]heptane
CID 638054
(1S,7S,8R)-bicyclo[5.2.0]nonan-8-amine;hydrochloride
CID 138987457
bicyclo[11.1.0]tetradecane
CID 90981498
bicyclo[21.1.0]tetracosane
CID 123789596
trans-(1R,2R)-2-cyclohexylcyclopropan-1-amine;hydrochloride
CID 134690804
3-cycloundecylcyclooctan-1-amine
CID 166997696
CID 159099716
CID 159099716
bicyclo[4.1.0]heptane-3,4-diamine;dihydrochloride
CID 146472088
3-cycloheptylcyclohexan-1-amine
CID 82924474

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,3-diamine?
The IUPAC name of (2S,3S,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,3-diamine (CID 102461320) is (2S,3S,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,3-diamine.
What is the SMILES notation for (2S,3S,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,3-diamine?
The canonical SMILES for (2S,3S,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,3-diamine is N[C@H]1C[C@H]2CCCC[C@@H]2C[C@@H]1N.
What is the InChIKey of (2S,3S,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,3-diamine?
The InChIKey is LEHVFMWPPKBCDK-IMSYWVGJSA-N. The full InChI is InChI=1S/C10H20N2/c11-9-5-7-3-1-2-4-8(7)6-10(9)12/h7-10H,1-6,11-12H2/t7-,8-,9+,10+/m1/s1.
What are the key properties of (2S,3S,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,3-diamine?
(2S,3S,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,3-diamine has a molecular weight of 168.28 g/mol, XLogP of 1.24, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,3-diamine is sourced from PubChem (CID 102461320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).