N'-(4,7-dimethyl-2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine

C16H26N2 — CID 59230333

IUPACN'-(4,7-dimethyl-2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine
SMILESCc1cc(NCCCCCN)c(C)c2c1CCC2
InChIInChI=1S/C16H26N2/c1-12-11-16(18-10-5-3-4-9-17)13(2)15-8-6-7-14(12)15/h11,18H,3-10,17H2,1-2H3
InChIKeyOOGDOEGMJFYJJG-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.33
Rot. Bonds6

About N'-(4,7-dimethyl-2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine

N'-(4,7-dimethyl-2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine (PubChem CID 59230333) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N'-(4,7-dimethyl-2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine.

Molecular Properties

Compound NameN'-(4,7-dimethyl-2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine
PubChem CID59230333
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN'-(4,7-dimethyl-2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine
SMILESCc1cc(NCCCCCN)c(C)c2c1CCC2
InChIInChI=1S/C16H26N2/c1-12-11-16(18-10-5-3-4-9-17)13(2)15-8-6-7-14(12)15/h11,18H,3-10,17H2,1-2H3
InChIKeyOOGDOEGMJFYJJG-UHFFFAOYSA-N
XLogP3.33
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.33
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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Frequently Asked Questions

What is the IUPAC name of N'-(4,7-dimethyl-2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine?
The IUPAC name of N'-(4,7-dimethyl-2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine (CID 59230333) is N'-(4,7-dimethyl-2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine.
What is the SMILES notation for N'-(4,7-dimethyl-2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine?
The canonical SMILES for N'-(4,7-dimethyl-2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine is Cc1cc(NCCCCCN)c(C)c2c1CCC2.
What is the InChIKey of N'-(4,7-dimethyl-2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine?
The InChIKey is OOGDOEGMJFYJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-12-11-16(18-10-5-3-4-9-17)13(2)15-8-6-7-14(12)15/h11,18H,3-10,17H2,1-2H3.
What are the key properties of N'-(4,7-dimethyl-2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine?
N'-(4,7-dimethyl-2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine has a molecular weight of 246.40 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,7-dimethyl-2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine is sourced from PubChem (CID 59230333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).