1-(2,3-dihydro-1H-inden-5-yl)-N,2-dimethylbutane-1,4-diamine

C15H24N2 — CID 116949561

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-N,2-dimethylbutane-1,4-diamine
SMILESCNC(c1ccc2c(c1)CCC2)C(C)CCN
InChIInChI=1S/C15H24N2/c1-11(8-9-16)15(17-2)14-7-6-12-4-3-5-13(12)10-14/h6-7,10-11,15,17H,3-5,8-9,16H2,1-2H3
InChIKeyIAKPHYXMLQKVQH-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.42
Rot. Bonds5

About 1-(2,3-dihydro-1H-inden-5-yl)-N,2-dimethylbutane-1,4-diamine

1-(2,3-dihydro-1H-inden-5-yl)-N,2-dimethylbutane-1,4-diamine (PubChem CID 116949561) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-N,2-dimethylbutane-1,4-diamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-N,2-dimethylbutane-1,4-diamine
PubChem CID116949561
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-N,2-dimethylbutane-1,4-diamine
SMILESCNC(c1ccc2c(c1)CCC2)C(C)CCN
InChIInChI=1S/C15H24N2/c1-11(8-9-16)15(17-2)14-7-6-12-4-3-5-13(12)10-14/h6-7,10-11,15,17H,3-5,8-9,16H2,1-2H3
InChIKeyIAKPHYXMLQKVQH-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1H-inden-5-yl)-N,2-dimethylpentan-1-amine
CID 43485099
N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-diamine
CID 116949253
1-(2,3-dihydro-1H-inden-5-yl)-N,N'-dimethyl-2-propan-2-ylpropane-1,3-diamine
CID 116960337
1-(methylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-ol
CID 116859383
3-(2,3-dihydro-1H-inden-5-yl)-3-fluoropropan-1-amine
CID 130479547
N-methyl-2-propyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-amine
CID 82985313
1-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,3-diamine
CID 116932733
1-(3-fluoro-4-methoxyphenyl)-N,2-dimethylbutane-1,4-diamine
CID 116949556
1-bromo-1-(2,3-dihydro-1H-inden-5-yl)-N-methylmethanamine
CID 116961881
2-[2,3-dihydro-1H-inden-5-yl(methylamino)methyl]butanenitrile
CID 116960523
4-(2,3-dihydro-1H-inden-5-yl)-4-(methylamino)butanenitrile
CID 116955267
N,N'-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanediamine
CID 116954289

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-N,2-dimethylbutane-1,4-diamine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-N,2-dimethylbutane-1,4-diamine (CID 116949561) is 1-(2,3-dihydro-1H-inden-5-yl)-N,2-dimethylbutane-1,4-diamine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-N,2-dimethylbutane-1,4-diamine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-N,2-dimethylbutane-1,4-diamine is CNC(c1ccc2c(c1)CCC2)C(C)CCN.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-N,2-dimethylbutane-1,4-diamine?
The InChIKey is IAKPHYXMLQKVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-11(8-9-16)15(17-2)14-7-6-12-4-3-5-13(12)10-14/h6-7,10-11,15,17H,3-5,8-9,16H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-N,2-dimethylbutane-1,4-diamine?
1-(2,3-dihydro-1H-inden-5-yl)-N,2-dimethylbutane-1,4-diamine has a molecular weight of 232.37 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-N,2-dimethylbutane-1,4-diamine is sourced from PubChem (CID 116949561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).