1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,6-diamine

C10H20N2 — CID 67294026

IUPAC1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,6-diamine
SMILESNC1CCC2C(N)CCCC2C1
InChIInChI=1S/C10H20N2/c11-8-4-5-9-7(6-8)2-1-3-10(9)12/h7-10H,1-6,11-12H2
InChIKeyFQAJEMIBVVDMMO-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.24
Rot. Bonds

About 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,6-diamine

1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,6-diamine (PubChem CID 67294026) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,6-diamine.

Molecular Properties

Compound Name1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,6-diamine
PubChem CID67294026
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,6-diamine
SMILESNC1CCC2C(N)CCCC2C1
InChIInChI=1S/C10H20N2/c11-8-4-5-9-7(6-8)2-1-3-10(9)12/h7-10H,1-6,11-12H2
InChIKeyFQAJEMIBVVDMMO-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,6-diamine?
The IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,6-diamine (CID 67294026) is 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,6-diamine.
What is the SMILES notation for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,6-diamine?
The canonical SMILES for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,6-diamine is NC1CCC2C(N)CCCC2C1.
What is the InChIKey of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,6-diamine?
The InChIKey is FQAJEMIBVVDMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c11-8-4-5-9-7(6-8)2-1-3-10(9)12/h7-10H,1-6,11-12H2.
What are the key properties of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,6-diamine?
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,6-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 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,6-diamine is sourced from PubChem (CID 67294026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).