2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-yl]propane-1,3-diamine

C16H26N2 — CID 83931724

IUPAC2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-yl]propane-1,3-diamine
SMILESCC(Cc1ccc2c(c1)CCCC2)C(CN)CN
InChIInChI=1S/C16H26N2/c1-12(16(10-17)11-18)8-13-6-7-14-4-2-3-5-15(14)9-13/h6-7,9,12,16H,2-5,8,10-11,17-18H2,1H3
InChIKeyQUNWJJRJAAEKOR-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.28
Rot. Bonds5

About 2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-yl]propane-1,3-diamine

2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-yl]propane-1,3-diamine (PubChem CID 83931724) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-yl]propane-1,3-diamine.

Molecular Properties

Compound Name2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-yl]propane-1,3-diamine
PubChem CID83931724
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-yl]propane-1,3-diamine
SMILESCC(Cc1ccc2c(c1)CCCC2)C(CN)CN
InChIInChI=1S/C16H26N2/c1-12(16(10-17)11-18)8-13-6-7-14-4-2-3-5-15(14)9-13/h6-7,9,12,16H,2-5,8,10-11,17-18H2,1H3
InChIKeyQUNWJJRJAAEKOR-UHFFFAOYSA-N
XLogP2.28
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-(2-chloropropyl)-1,2,3,4-tetrahydronaphthalene
CID 82255501
2-[3-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-2-yl]propane-1,3-diamine
CID 83931757
N-propan-2-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-amine
CID 82262476
5-(3-chloro-2-methylpropyl)-2,3-dihydro-1H-indene
CID 66034063
2-[1-(3-tert-butyl-4-methylphenyl)propan-2-yl]propane-1,3-diamine
CID 83939168
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-yl]cyclopropanamine
CID 82262583
4-methyl-9-(2-methylpropyl)-1,2,3,5,6,7-hexahydro-4-benzazonine
CID 170264130
5,6,7,8-tetrahydronaphthalen-2-ylmethanamine;hydrochloride
CID 18993882
[1-(2,3-dihydro-1H-inden-5-yl)-3,4-dimethylpentan-2-yl]hydrazine
CID 105310742
methyl (2R)-2-methyl-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)propanoate
CID 159670756
[1-(2,3-dihydro-1H-inden-5-yl)-5-methylhexan-2-yl]hydrazine
CID 105207475
2-(2,3-dihydro-1H-inden-5-yl)ethanamine
CID 61070182

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-yl]propane-1,3-diamine?
The IUPAC name of 2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-yl]propane-1,3-diamine (CID 83931724) is 2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-yl]propane-1,3-diamine.
What is the SMILES notation for 2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-yl]propane-1,3-diamine?
The canonical SMILES for 2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-yl]propane-1,3-diamine is CC(Cc1ccc2c(c1)CCCC2)C(CN)CN.
What is the InChIKey of 2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-yl]propane-1,3-diamine?
The InChIKey is QUNWJJRJAAEKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-12(16(10-17)11-18)8-13-6-7-14-4-2-3-5-15(14)9-13/h6-7,9,12,16H,2-5,8,10-11,17-18H2,1H3.
What are the key properties of 2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-yl]propane-1,3-diamine?
2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-yl]propane-1,3-diamine has a molecular weight of 246.40 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-yl]propane-1,3-diamine is sourced from PubChem (CID 83931724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).