3-N,3-N-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butane-1,3-diamine

C16H26N2O — CID 112501002

IUPAC3-N,3-N-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butane-1,3-diamine
SMILESCN(C)C(CCN)COc1ccc2c(c1)CCCC2
InChIInChI=1S/C16H26N2O/c1-18(2)15(9-10-17)12-19-16-8-7-13-5-3-4-6-14(13)11-16/h7-8,11,15H,3-6,9-10,12,17H2,1-2H3
InChIKeySGQLRYWHRABPCL-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.22
Rot. Bonds6

About 3-N,3-N-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butane-1,3-diamine

3-N,3-N-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butane-1,3-diamine (PubChem CID 112501002) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-N,3-N-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butane-1,3-diamine.

Molecular Properties

Compound Name3-N,3-N-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butane-1,3-diamine
PubChem CID112501002
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-N,3-N-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butane-1,3-diamine
SMILESCN(C)C(CCN)COc1ccc2c(c1)CCCC2
InChIInChI=1S/C16H26N2O/c1-18(2)15(9-10-17)12-19-16-8-7-13-5-3-4-6-14(13)11-16/h7-8,11,15H,3-6,9-10,12,17H2,1-2H3
InChIKeySGQLRYWHRABPCL-UHFFFAOYSA-N
XLogP2.22
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentan-2-ol
CID 62042802
N-ethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-2-amine
CID 62038734
1-(2,3-dihydro-1H-inden-5-yloxy)propan-2-ylhydrazine
CID 82283353
1-(2,3-dihydro-1H-inden-5-yloxy)pentan-2-ol
CID 62041508
N-(2,3-dihydro-1H-inden-5-ylmethyl)-N,2-dimethylbutane-1,4-diamine
CID 115202649
2-(2,3-dihydro-1H-inden-5-yloxymethyl)-3,3,3-trifluoropropan-1-amine
CID 103366723
2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-amine
CID 28917689
6-(2-bromo-3,3,3-trifluoropropoxy)-1,2,3,4-tetrahydronaphthalene
CID 64757499
1-(2,3-dihydro-1H-inden-5-yloxy)-N-methylpentan-2-amine
CID 62043866
2-(methylamino)-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-ol
CID 64810805
1-cyclohexyl-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethanamine
CID 104749235
1-(2,3-dihydro-1H-inden-5-yloxy)-N-ethyl-3-methoxypropan-2-amine
CID 107506688

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butane-1,3-diamine?
The IUPAC name of 3-N,3-N-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butane-1,3-diamine (CID 112501002) is 3-N,3-N-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butane-1,3-diamine.
What is the SMILES notation for 3-N,3-N-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butane-1,3-diamine?
The canonical SMILES for 3-N,3-N-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butane-1,3-diamine is CN(C)C(CCN)COc1ccc2c(c1)CCCC2.
What is the InChIKey of 3-N,3-N-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butane-1,3-diamine?
The InChIKey is SGQLRYWHRABPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-18(2)15(9-10-17)12-19-16-8-7-13-5-3-4-6-14(13)11-16/h7-8,11,15H,3-6,9-10,12,17H2,1-2H3.
What are the key properties of 3-N,3-N-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butane-1,3-diamine?
3-N,3-N-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butane-1,3-diamine has a molecular weight of 262.40 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butane-1,3-diamine is sourced from PubChem (CID 112501002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).