N'-(2-bicyclo[2.2.1]heptanylmethyl)-N,N-dimethyl-N'-[[3-(2-methylpropyl)phenyl]methyl]ethane-1,2-diamine

C23H38N2 — CID 58598029

IUPACN'-(2-bicyclo[2.2.1]heptanylmethyl)-N,N-dimethyl-N'-[[3-(2-methylpropyl)phenyl]methyl]ethane-1,2-diamine
SMILESCC(C)Cc1cccc(CN(CCN(C)C)CC2CC3CCC2C3)c1
InChIInChI=1S/C23H38N2/c1-18(2)12-19-6-5-7-21(13-19)16-25(11-10-24(3)4)17-23-15-20-8-9-22(23)14-20/h5-7,13,18,20,22-23H,8-12,14-17H2,1-4H3
InChIKeyPJYKYXAYKJELOS-UHFFFAOYSA-N
MW342.57 g/mol
LogP4.68
Rot. Bonds9

About N'-(2-bicyclo[2.2.1]heptanylmethyl)-N,N-dimethyl-N'-[[3-(2-methylpropyl)phenyl]methyl]ethane-1,2-diamine

N'-(2-bicyclo[2.2.1]heptanylmethyl)-N,N-dimethyl-N'-[[3-(2-methylpropyl)phenyl]methyl]ethane-1,2-diamine (PubChem CID 58598029) has the molecular formula C23H38N2 and a molecular weight of 342.57 g/mol. Its IUPAC name is N'-(2-bicyclo[2.2.1]heptanylmethyl)-N,N-dimethyl-N'-[[3-(2-methylpropyl)phenyl]methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-bicyclo[2.2.1]heptanylmethyl)-N,N-dimethyl-N'-[[3-(2-methylpropyl)phenyl]methyl]ethane-1,2-diamine
PubChem CID58598029
Molecular FormulaC23H38N2
Molecular Weight342.57 g/mol
Exact Mass342.30
IUPAC NameN'-(2-bicyclo[2.2.1]heptanylmethyl)-N,N-dimethyl-N'-[[3-(2-methylpropyl)phenyl]methyl]ethane-1,2-diamine
SMILESCC(C)Cc1cccc(CN(CCN(C)C)CC2CC3CCC2C3)c1
InChIInChI=1S/C23H38N2/c1-18(2)12-19-6-5-7-21(13-19)16-25(11-10-24(3)4)17-23-15-20-8-9-22(23)14-20/h5-7,13,18,20,22-23H,8-12,14-17H2,1-4H3
InChIKeyPJYKYXAYKJELOS-UHFFFAOYSA-N
XLogP4.68
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.57
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-(2-bicyclo[2.2.1]heptanylmethyl)-N,N-dimethyl-N'-[[3-(2-methylpropyl)phenyl]methyl]ethane-1,2-diamine?
The IUPAC name of N'-(2-bicyclo[2.2.1]heptanylmethyl)-N,N-dimethyl-N'-[[3-(2-methylpropyl)phenyl]methyl]ethane-1,2-diamine (CID 58598029) is N'-(2-bicyclo[2.2.1]heptanylmethyl)-N,N-dimethyl-N'-[[3-(2-methylpropyl)phenyl]methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-(2-bicyclo[2.2.1]heptanylmethyl)-N,N-dimethyl-N'-[[3-(2-methylpropyl)phenyl]methyl]ethane-1,2-diamine?
The canonical SMILES for N'-(2-bicyclo[2.2.1]heptanylmethyl)-N,N-dimethyl-N'-[[3-(2-methylpropyl)phenyl]methyl]ethane-1,2-diamine is CC(C)Cc1cccc(CN(CCN(C)C)CC2CC3CCC2C3)c1.
What is the InChIKey of N'-(2-bicyclo[2.2.1]heptanylmethyl)-N,N-dimethyl-N'-[[3-(2-methylpropyl)phenyl]methyl]ethane-1,2-diamine?
The InChIKey is PJYKYXAYKJELOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N2/c1-18(2)12-19-6-5-7-21(13-19)16-25(11-10-24(3)4)17-23-15-20-8-9-22(23)14-20/h5-7,13,18,20,22-23H,8-12,14-17H2,1-4H3.
What are the key properties of N'-(2-bicyclo[2.2.1]heptanylmethyl)-N,N-dimethyl-N'-[[3-(2-methylpropyl)phenyl]methyl]ethane-1,2-diamine?
N'-(2-bicyclo[2.2.1]heptanylmethyl)-N,N-dimethyl-N'-[[3-(2-methylpropyl)phenyl]methyl]ethane-1,2-diamine has a molecular weight of 342.57 g/mol, XLogP of 4.68, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-bicyclo[2.2.1]heptanylmethyl)-N,N-dimethyl-N'-[[3-(2-methylpropyl)phenyl]methyl]ethane-1,2-diamine is sourced from PubChem (CID 58598029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).