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

C17H28N2 — CID 116905443

IUPACN,N,3-trimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-diamine
SMILESCC(CN)CC(c1ccc2c(c1)CCCC2)N(C)C
InChIInChI=1S/C17H28N2/c1-13(12-18)10-17(19(2)3)16-9-8-14-6-4-5-7-15(14)11-16/h8-9,11,13,17H,4-7,10,12,18H2,1-3H3
InChIKeyUYBRGXPKYKDAJY-UHFFFAOYSA-N
MW260.42 g/mol
LogP3.15
Rot. Bonds5

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

N,N,3-trimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-diamine (PubChem CID 116905443) has the molecular formula C17H28N2 and a molecular weight of 260.42 g/mol. Its IUPAC name is N,N,3-trimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-diamine.

Molecular Properties

Compound NameN,N,3-trimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-diamine
PubChem CID116905443
Molecular FormulaC17H28N2
Molecular Weight260.42 g/mol
Exact Mass260.23
IUPAC NameN,N,3-trimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-diamine
SMILESCC(CN)CC(c1ccc2c(c1)CCCC2)N(C)C
InChIInChI=1S/C17H28N2/c1-13(12-18)10-17(19(2)3)16-9-8-14-6-4-5-7-15(14)11-16/h8-9,11,13,17H,4-7,10,12,18H2,1-3H3
InChIKeyUYBRGXPKYKDAJY-UHFFFAOYSA-N
XLogP3.15
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1-benzofuran-5-yl)-N,N,3-trimethylbutane-1,4-diamine
CID 116905506
2-(2,3-dihydro-1H-inden-5-yl)-2-(dimethylamino)ethanol
CID 116857218
N,N,3-trimethyl-1-(3-methylphenyl)butane-1,4-diamine
CID 116905510
2-[3-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-2-yl]propane-1,3-diamine
CID 83931757
2-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,3-diamine
CID 115198218
N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propane-1,3-diamine
CID 60889722
4-amino-N,3-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 115156272
N-(2,3-dihydro-1H-inden-5-ylmethyl)-N,2-dimethylbutane-1,4-diamine
CID 115202649
ethane;methane;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 160891896
N,N'-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanediamine
CID 116954289
(1S)-2-amino-1-(2,3-dihydro-1H-inden-5-yl)ethanol
CID 83001263
1-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,3-diamine
CID 116932733

Frequently Asked Questions

What is the IUPAC name of N,N,3-trimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-diamine?
The IUPAC name of N,N,3-trimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-diamine (CID 116905443) is N,N,3-trimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-diamine.
What is the SMILES notation for N,N,3-trimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-diamine?
The canonical SMILES for N,N,3-trimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-diamine is CC(CN)CC(c1ccc2c(c1)CCCC2)N(C)C.
What is the InChIKey of N,N,3-trimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-diamine?
The InChIKey is UYBRGXPKYKDAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-13(12-18)10-17(19(2)3)16-9-8-14-6-4-5-7-15(14)11-16/h8-9,11,13,17H,4-7,10,12,18H2,1-3H3.
What are the key properties of N,N,3-trimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-diamine?
N,N,3-trimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-diamine has a molecular weight of 260.42 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3-trimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-diamine is sourced from PubChem (CID 116905443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).