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

C15H24N2 — CID 115202278

IUPAC2-methyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-diamine
SMILESCC(CCN)CNc1ccc2c(c1)CCCC2
InChIInChI=1S/C15H24N2/c1-12(8-9-16)11-17-15-7-6-13-4-2-3-5-14(13)10-15/h6-7,10,12,17H,2-5,8-9,11,16H2,1H3
InChIKeyLBQIWCOILDIRQC-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.96
Rot. Bonds5

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

2-methyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-diamine (PubChem CID 115202278) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 2-methyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-diamine.

Molecular Properties

Compound Name2-methyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-diamine
PubChem CID115202278
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name2-methyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-diamine
SMILESCC(CCN)CNc1ccc2c(c1)CCCC2
InChIInChI=1S/C15H24N2/c1-12(8-9-16)11-17-15-7-6-13-4-2-3-5-14(13)10-15/h6-7,10,12,17H,2-5,8-9,11,16H2,1H3
InChIKeyLBQIWCOILDIRQC-UHFFFAOYSA-N
XLogP2.96
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,3-diamine
CID 115198218
N'-(5,6,7,8-tetrahydronaphthalen-2-yl)ethane-1,2-diamine
CID 82490968
3-(2,3-dihydro-1H-inden-5-ylamino)-2-methylpropanamide
CID 43312074
N-(3,4-dimethoxyphenyl)-2-methylbutane-1,4-diamine
CID 114987378
3-(5,6,7,8-tetrahydronaphthalen-2-ylamino)propane-1,2-diol
CID 115121860
2-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-3-methylbutan-1-ol
CID 115251818
2-ethyl-N-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,3-diamine
CID 115254752
N-(2,3-dihydro-1H-inden-5-ylmethyl)-N,2-dimethylbutane-1,4-diamine
CID 115202649
N-tert-butyl-4-(2,3-dihydro-1H-inden-5-yl)-2-methylbutan-1-amine
CID 64663973
N-(3-fluoro-4-methoxyphenyl)-2-methylbutane-1,4-diamine
CID 115202281
N'-(3,4-dihydro-2H-thiochromen-6-yl)-2-methylpropane-1,3-diamine
CID 115198310
N-(bromomethyl)-5,6,7,8-tetrahydronaphthalen-2-amine
CID 115261521

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-diamine?
The IUPAC name of 2-methyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-diamine (CID 115202278) is 2-methyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-diamine.
What is the SMILES notation for 2-methyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-diamine?
The canonical SMILES for 2-methyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-diamine is CC(CCN)CNc1ccc2c(c1)CCCC2.
What is the InChIKey of 2-methyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-diamine?
The InChIKey is LBQIWCOILDIRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-12(8-9-16)11-17-15-7-6-13-4-2-3-5-14(13)10-15/h6-7,10,12,17H,2-5,8-9,11,16H2,1H3.
What are the key properties of 2-methyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-diamine?
2-methyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-diamine has a molecular weight of 232.37 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-diamine is sourced from PubChem (CID 115202278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).