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

C10H20N2 — CID 18958568

IUPAC1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,3-diamine
SMILESNC1CC2CCCCC2CC1N
InChIInChI=1S/C10H20N2/c11-9-5-7-3-1-2-4-8(7)6-10(9)12/h7-10H,1-6,11-12H2
InChIKeyLEHVFMWPPKBCDK-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.24
Rot. Bonds

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

1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,3-diamine (PubChem CID 18958568) 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-2,3-diamine.

Molecular Properties

Compound Name1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,3-diamine
PubChem CID18958568
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,3-diamine
SMILESNC1CC2CCCCC2CC1N
InChIInChI=1S/C10H20N2/c11-9-5-7-3-1-2-4-8(7)6-10(9)12/h7-10H,1-6,11-12H2
InChIKeyLEHVFMWPPKBCDK-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-2,3-diamine?
The IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,3-diamine (CID 18958568) is 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,3-diamine.
What is the SMILES notation for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,3-diamine?
The canonical SMILES for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,3-diamine is NC1CC2CCCCC2CC1N.
What is the InChIKey of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,3-diamine?
The InChIKey is LEHVFMWPPKBCDK-UHFFFAOYSA-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.
What are the key properties of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,3-diamine?
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 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,3-diamine is sourced from PubChem (CID 18958568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).