2,3-dihydro-1H-inden-5-ylmethanediamine

C10H14N2 — CID 116939135

IUPAC2,3-dihydro-1H-inden-5-ylmethanediamine
SMILESNC(N)c1ccc2c(c1)CCC2
InChIInChI=1S/C10H14N2/c11-10(12)9-5-4-7-2-1-3-8(7)6-9/h4-6,10H,1-3,11-12H2
InChIKeyIBLOMOXWLVLRLH-UHFFFAOYSA-N
MW162.24 g/mol
LogP1.09
Rot. Bonds1

About 2,3-dihydro-1H-inden-5-ylmethanediamine

2,3-dihydro-1H-inden-5-ylmethanediamine (PubChem CID 116939135) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-5-ylmethanediamine.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-5-ylmethanediamine
PubChem CID116939135
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name2,3-dihydro-1H-inden-5-ylmethanediamine
SMILESNC(N)c1ccc2c(c1)CCC2
InChIInChI=1S/C10H14N2/c11-10(12)9-5-4-7-2-1-3-8(7)6-9/h4-6,10H,1-3,11-12H2
InChIKeyIBLOMOXWLVLRLH-UHFFFAOYSA-N
XLogP1.09
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,3-dihydro-1H-inden-5-yl-(4-propan-2-ylphenyl)methanamine
CID 43115552
2-amino-1-(2,3-dihydro-1H-inden-5-yl)-3-methylbutan-1-ol
CID 82285998
(3,5-dichlorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 43115602
5-(difluoromethyl)-2,3-dihydro-1H-indene;ethene
CID 164603454
(methylideneamino)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
CID 144541952
(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
(2,6-difluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 43115569
2,3-dihydro-1H-inden-5-yl-(2,4,6-trifluorophenyl)methanamine
CID 43198708
1-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)ethanamine
CID 146221659
(4-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
CID 43095172
1-(2,3-dihydro-1H-inden-5-yl)-2-methylpropan-1-ol
CID 61087028

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-5-ylmethanediamine?
The IUPAC name of 2,3-dihydro-1H-inden-5-ylmethanediamine (CID 116939135) is 2,3-dihydro-1H-inden-5-ylmethanediamine.
What is the SMILES notation for 2,3-dihydro-1H-inden-5-ylmethanediamine?
The canonical SMILES for 2,3-dihydro-1H-inden-5-ylmethanediamine is NC(N)c1ccc2c(c1)CCC2.
What is the InChIKey of 2,3-dihydro-1H-inden-5-ylmethanediamine?
The InChIKey is IBLOMOXWLVLRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c11-10(12)9-5-4-7-2-1-3-8(7)6-9/h4-6,10H,1-3,11-12H2.
What are the key properties of 2,3-dihydro-1H-inden-5-ylmethanediamine?
2,3-dihydro-1H-inden-5-ylmethanediamine has a molecular weight of 162.24 g/mol, XLogP of 1.09, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-5-ylmethanediamine is sourced from PubChem (CID 116939135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).