N'-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]butane-1,4-diamine

C15H24N2 — CID 60893434

IUPACN'-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]butane-1,4-diamine
SMILESCC(NCCCCN)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H24N2/c1-12(17-10-3-2-9-16)14-8-7-13-5-4-6-15(13)11-14/h7-8,11-12,17H,2-6,9-10,16H2,1H3
InChIKeyFNSMTUGYOAPNOI-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.56
Rot. Bonds6

About N'-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]butane-1,4-diamine

N'-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]butane-1,4-diamine (PubChem CID 60893434) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N'-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]butane-1,4-diamine.

Molecular Properties

Compound NameN'-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]butane-1,4-diamine
PubChem CID60893434
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN'-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]butane-1,4-diamine
SMILESCC(NCCCCN)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H24N2/c1-12(17-10-3-2-9-16)14-8-7-13-5-4-6-15(13)11-14/h7-8,11-12,17H,2-6,9-10,16H2,1H3
InChIKeyFNSMTUGYOAPNOI-UHFFFAOYSA-N
XLogP2.56
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propane-1,3-diamine
CID 60889722
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]hex-5-yn-1-amine
CID 106209632
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 43200388
2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]ethanol
CID 43151079
3-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]propanenitrile
CID 43207724
N-(2-cyclopentylethyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanamine
CID 63450607
N-(2-propan-2-yloxyethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 115574841
N-(2-methylsulfinylethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 113261699
5-[1-(4-aminobutylamino)ethyl]benzene-1,3-diol
CID 107706031
1-(2,3-dihydro-1H-inden-5-yl)-N-(2-prop-2-ynylsulfanylethyl)ethanamine
CID 103902490
2,3-dimethyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]butan-1-amine
CID 64568274
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-methylbut-2-en-1-amine
CID 106180416

Frequently Asked Questions

What is the IUPAC name of N'-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]butane-1,4-diamine?
The IUPAC name of N'-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]butane-1,4-diamine (CID 60893434) is N'-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]butane-1,4-diamine.
What is the SMILES notation for N'-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]butane-1,4-diamine?
The canonical SMILES for N'-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]butane-1,4-diamine is CC(NCCCCN)c1ccc2c(c1)CCC2.
What is the InChIKey of N'-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]butane-1,4-diamine?
The InChIKey is FNSMTUGYOAPNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-12(17-10-3-2-9-16)14-8-7-13-5-4-6-15(13)11-14/h7-8,11-12,17H,2-6,9-10,16H2,1H3.
What are the key properties of N'-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]butane-1,4-diamine?
N'-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]butane-1,4-diamine has a molecular weight of 232.37 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]butane-1,4-diamine is sourced from PubChem (CID 60893434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).