N'-(2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine

C14H22N2 — CID 59229873

IUPACN'-(2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine
SMILESNCCCCCNc1ccc2c(c1)CCC2
InChIInChI=1S/C14H22N2/c15-9-2-1-3-10-16-14-8-7-12-5-4-6-13(12)11-14/h7-8,11,16H,1-6,9-10,15H2
InChIKeyVHRMAFZCIMHGBE-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.72
Rot. Bonds6

About N'-(2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine

N'-(2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine (PubChem CID 59229873) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N'-(2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine.

Molecular Properties

Compound NameN'-(2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine
PubChem CID59229873
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN'-(2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine
SMILESNCCCCCNc1ccc2c(c1)CCC2
InChIInChI=1S/C14H22N2/c15-9-2-1-3-10-16-14-8-7-12-5-4-6-13(12)11-14/h7-8,11,16H,1-6,9-10,15H2
InChIKeyVHRMAFZCIMHGBE-UHFFFAOYSA-N
XLogP2.72
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.72
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'-(5,6,7,8-tetrahydronaphthalen-2-yl)ethane-1,2-diamine
CID 82490968
1-N-(2,3-dihydro-1H-inden-5-yl)-4-methylpentane-1,4-diamine
CID 115205117
N'-(3,4-dihydro-2H-chromen-6-yl)butane-1,4-diamine
CID 115201022
N-(4,4-dimethylpentyl)-2,3-dihydro-1H-inden-5-amine
CID 114209369
N'-(2,3-dihydro-1H-inden-5-yl)-N-ethylethane-1,2-diamine
CID 115205551
N-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,3-diamine
CID 115197636
7-amino-N-(2,3-dihydro-1H-inden-5-yl)heptanamide
CID 24700487
N-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-inden-5-amine
CID 64554180
N'-(3,4-dihydro-2H-thiochromen-6-yl)propane-1,3-diamine
CID 115197135
N-(3-phenoxypropyl)-2,3-dihydro-1H-inden-5-amine
CID 60679696
N'-(3,4-difluorophenyl)butane-1,4-diamine
CID 83953114
N'-(3-fluoro-4-methylphenyl)pentane-1,5-diamine
CID 59230672

Frequently Asked Questions

What is the IUPAC name of N'-(2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine?
The IUPAC name of N'-(2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine (CID 59229873) is N'-(2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine.
What is the SMILES notation for N'-(2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine?
The canonical SMILES for N'-(2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine is NCCCCCNc1ccc2c(c1)CCC2.
What is the InChIKey of N'-(2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine?
The InChIKey is VHRMAFZCIMHGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c15-9-2-1-3-10-16-14-8-7-12-5-4-6-13(12)11-14/h7-8,11,16H,1-6,9-10,15H2.
What are the key properties of N'-(2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine?
N'-(2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine has a molecular weight of 218.34 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine is sourced from PubChem (CID 59229873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).