N'-(2,3-dihydro-1H-inden-2-yl)-N,N,N'-trimethylpropane-1,3-diamine;formaldehyde;4-methylphenol;prop-1-ene

C26H40N2O2 — CID 143950825

IUPACN'-(2,3-dihydro-1H-inden-2-yl)-N,N,N'-trimethylpropane-1,3-diamine;formaldehyde;4-methylphenol;prop-1-ene
SMILESC=CC.C=O.CN(C)CCCN(C)C1Cc2ccccc2C1.Cc1ccc(O)cc1
InChIInChI=1S/C15H24N2.C7H8O.C3H6.CH2O/c1-16(2)9-6-10-17(3)15-11-13-7-4-5-8-14(13)12-15;1-6-2-4-7(8)5-3-6;1-3-2;1-2/h4-5,7-8,15H,6,9-12H2,1-3H3;2-5,8H,1H3;3H,1H2,2H3;1H2
InChIKeyQBEXSEZSVWDDDT-UHFFFAOYSA-N
MW412.62 g/mol
LogP4.75
Rot. Bonds5

About N'-(2,3-dihydro-1H-inden-2-yl)-N,N,N'-trimethylpropane-1,3-diamine;formaldehyde;4-methylphenol;prop-1-ene

N'-(2,3-dihydro-1H-inden-2-yl)-N,N,N'-trimethylpropane-1,3-diamine;formaldehyde;4-methylphenol;prop-1-ene (PubChem CID 143950825) has the molecular formula C26H40N2O2 and a molecular weight of 412.62 g/mol. Its IUPAC name is N'-(2,3-dihydro-1H-inden-2-yl)-N,N,N'-trimethylpropane-1,3-diamine;formaldehyde;4-methylphenol;prop-1-ene.

Molecular Properties

Compound NameN'-(2,3-dihydro-1H-inden-2-yl)-N,N,N'-trimethylpropane-1,3-diamine;formaldehyde;4-methylphenol;prop-1-ene
PubChem CID143950825
Molecular FormulaC26H40N2O2
Molecular Weight412.62 g/mol
Exact Mass412.31
IUPAC NameN'-(2,3-dihydro-1H-inden-2-yl)-N,N,N'-trimethylpropane-1,3-diamine;formaldehyde;4-methylphenol;prop-1-ene
SMILESC=CC.C=O.CN(C)CCCN(C)C1Cc2ccccc2C1.Cc1ccc(O)cc1
InChIInChI=1S/C15H24N2.C7H8O.C3H6.CH2O/c1-16(2)9-6-10-17(3)15-11-13-7-4-5-8-14(13)12-15;1-6-2-4-7(8)5-3-6;1-3-2;1-2/h4-5,7-8,15H,6,9-12H2,1-3H3;2-5,8H,1H3;3H,1H2,2H3;1H2
InChIKeyQBEXSEZSVWDDDT-UHFFFAOYSA-N
XLogP4.75
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.62
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(2,3-dihydro-1H-inden-2-yl)-N,N,N'-trimethylpropane-1,3-diamine;formaldehyde;4-methylphenol;prop-1-ene?
The IUPAC name of N'-(2,3-dihydro-1H-inden-2-yl)-N,N,N'-trimethylpropane-1,3-diamine;formaldehyde;4-methylphenol;prop-1-ene (CID 143950825) is N'-(2,3-dihydro-1H-inden-2-yl)-N,N,N'-trimethylpropane-1,3-diamine;formaldehyde;4-methylphenol;prop-1-ene.
What is the SMILES notation for N'-(2,3-dihydro-1H-inden-2-yl)-N,N,N'-trimethylpropane-1,3-diamine;formaldehyde;4-methylphenol;prop-1-ene?
The canonical SMILES for N'-(2,3-dihydro-1H-inden-2-yl)-N,N,N'-trimethylpropane-1,3-diamine;formaldehyde;4-methylphenol;prop-1-ene is C=CC.C=O.CN(C)CCCN(C)C1Cc2ccccc2C1.Cc1ccc(O)cc1.
What is the InChIKey of N'-(2,3-dihydro-1H-inden-2-yl)-N,N,N'-trimethylpropane-1,3-diamine;formaldehyde;4-methylphenol;prop-1-ene?
The InChIKey is QBEXSEZSVWDDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2.C7H8O.C3H6.CH2O/c1-16(2)9-6-10-17(3)15-11-13-7-4-5-8-14(13)12-15;1-6-2-4-7(8)5-3-6;1-3-2;1-2/h4-5,7-8,15H,6,9-12H2,1-3H3;2-5,8H,1H3;3H,1H2,2H3;1H2.
What are the key properties of N'-(2,3-dihydro-1H-inden-2-yl)-N,N,N'-trimethylpropane-1,3-diamine;formaldehyde;4-methylphenol;prop-1-ene?
N'-(2,3-dihydro-1H-inden-2-yl)-N,N,N'-trimethylpropane-1,3-diamine;formaldehyde;4-methylphenol;prop-1-ene has a molecular weight of 412.62 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3-dihydro-1H-inden-2-yl)-N,N,N'-trimethylpropane-1,3-diamine;formaldehyde;4-methylphenol;prop-1-ene is sourced from PubChem (CID 143950825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).