N-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]-N'-(3-methyl-4-pyridinyl)ethane-1,2-diamine

C22H30N4 — CID 131899940

IUPACN-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]-N'-(3-methyl-4-pyridinyl)ethane-1,2-diamine
SMILESCc1cnccc1NCCNC1CCN(c2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C22H30N4/c1-17-16-23-10-7-22(17)25-12-11-24-20-8-13-26(14-9-20)21-6-5-18-3-2-4-19(18)15-21/h5-7,10,15-16,20,24H,2-4,8-9,11-14H2,1H3,(H,23,25)
InChIKeyUPDDEFRRGKGIPK-UHFFFAOYSA-N
MW350.51 g/mol
LogP3.55
Rot. Bonds6

About N-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]-N'-(3-methyl-4-pyridinyl)ethane-1,2-diamine

N-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]-N'-(3-methyl-4-pyridinyl)ethane-1,2-diamine (PubChem CID 131899940) has the molecular formula C22H30N4 and a molecular weight of 350.51 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]-N'-(3-methyl-4-pyridinyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]-N'-(3-methyl-4-pyridinyl)ethane-1,2-diamine
PubChem CID131899940
Molecular FormulaC22H30N4
Molecular Weight350.51 g/mol
Exact Mass350.25
IUPAC NameN-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]-N'-(3-methyl-4-pyridinyl)ethane-1,2-diamine
SMILESCc1cnccc1NCCNC1CCN(c2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C22H30N4/c1-17-16-23-10-7-22(17)25-12-11-24-20-8-13-26(14-9-20)21-6-5-18-3-2-4-19(18)15-21/h5-7,10,15-16,20,24H,2-4,8-9,11-14H2,1H3,(H,23,25)
InChIKeyUPDDEFRRGKGIPK-UHFFFAOYSA-N
XLogP3.55
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]-N'-(3-methyl-4-pyridinyl)ethane-1,2-diamine?
The IUPAC name of N-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]-N'-(3-methyl-4-pyridinyl)ethane-1,2-diamine (CID 131899940) is N-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]-N'-(3-methyl-4-pyridinyl)ethane-1,2-diamine.
What is the SMILES notation for N-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]-N'-(3-methyl-4-pyridinyl)ethane-1,2-diamine?
The canonical SMILES for N-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]-N'-(3-methyl-4-pyridinyl)ethane-1,2-diamine is Cc1cnccc1NCCNC1CCN(c2ccc3c(c2)CCC3)CC1.
What is the InChIKey of N-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]-N'-(3-methyl-4-pyridinyl)ethane-1,2-diamine?
The InChIKey is UPDDEFRRGKGIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4/c1-17-16-23-10-7-22(17)25-12-11-24-20-8-13-26(14-9-20)21-6-5-18-3-2-4-19(18)15-21/h5-7,10,15-16,20,24H,2-4,8-9,11-14H2,1H3,(H,23,25).
What are the key properties of N-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]-N'-(3-methyl-4-pyridinyl)ethane-1,2-diamine?
N-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]-N'-(3-methyl-4-pyridinyl)ethane-1,2-diamine has a molecular weight of 350.51 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]-N'-(3-methyl-4-pyridinyl)ethane-1,2-diamine is sourced from PubChem (CID 131899940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).