N'-(2,3-dihydro-1H-inden-2-yl)pentanimidamide

C14H20N2 — CID 123423283

IUPACN'-(2,3-dihydro-1H-inden-2-yl)pentanimidamide
SMILESCCCC/C(N)=N\C1Cc2ccccc2C1
InChIInChI=1S/C14H20N2/c1-2-3-8-14(15)16-13-9-11-6-4-5-7-12(11)10-13/h4-7,13H,2-3,8-10H2,1H3,(H2,15,16)
InChIKeyMNTJDFWQHAJJKX-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.70
Rot. Bonds4

About N'-(2,3-dihydro-1H-inden-2-yl)pentanimidamide

N'-(2,3-dihydro-1H-inden-2-yl)pentanimidamide (PubChem CID 123423283) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is N'-(2,3-dihydro-1H-inden-2-yl)pentanimidamide.

Molecular Properties

Compound NameN'-(2,3-dihydro-1H-inden-2-yl)pentanimidamide
PubChem CID123423283
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC NameN'-(2,3-dihydro-1H-inden-2-yl)pentanimidamide
SMILESCCCC/C(N)=N\C1Cc2ccccc2C1
InChIInChI=1S/C14H20N2/c1-2-3-8-14(15)16-13-9-11-6-4-5-7-12(11)10-13/h4-7,13H,2-3,8-10H2,1H3,(H2,15,16)
InChIKeyMNTJDFWQHAJJKX-UHFFFAOYSA-N
XLogP2.70
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2,3-dihydro-1H-inden-2-yl)pentanimidamide?
The IUPAC name of N'-(2,3-dihydro-1H-inden-2-yl)pentanimidamide (CID 123423283) is N'-(2,3-dihydro-1H-inden-2-yl)pentanimidamide.
What is the SMILES notation for N'-(2,3-dihydro-1H-inden-2-yl)pentanimidamide?
The canonical SMILES for N'-(2,3-dihydro-1H-inden-2-yl)pentanimidamide is CCCC/C(N)=N\C1Cc2ccccc2C1.
What is the InChIKey of N'-(2,3-dihydro-1H-inden-2-yl)pentanimidamide?
The InChIKey is MNTJDFWQHAJJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-2-3-8-14(15)16-13-9-11-6-4-5-7-12(11)10-13/h4-7,13H,2-3,8-10H2,1H3,(H2,15,16).
What are the key properties of N'-(2,3-dihydro-1H-inden-2-yl)pentanimidamide?
N'-(2,3-dihydro-1H-inden-2-yl)pentanimidamide has a molecular weight of 216.33 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3-dihydro-1H-inden-2-yl)pentanimidamide is sourced from PubChem (CID 123423283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).