N'-(3-methylcyclobutyl)-1-(4-methylphenyl)ethane-1,2-diamine

C14H22N2 — CID 106313130

IUPACN'-(3-methylcyclobutyl)-1-(4-methylphenyl)ethane-1,2-diamine
SMILESCc1ccc(C(N)CNC2CC(C)C2)cc1
InChIInChI=1S/C14H22N2/c1-10-3-5-12(6-4-10)14(15)9-16-13-7-11(2)8-13/h3-6,11,13-14,16H,7-9,15H2,1-2H3
InChIKeyPPMYJAZNZJKFPK-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.38
Rot. Bonds4

About N'-(3-methylcyclobutyl)-1-(4-methylphenyl)ethane-1,2-diamine

N'-(3-methylcyclobutyl)-1-(4-methylphenyl)ethane-1,2-diamine (PubChem CID 106313130) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N'-(3-methylcyclobutyl)-1-(4-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3-methylcyclobutyl)-1-(4-methylphenyl)ethane-1,2-diamine
PubChem CID106313130
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN'-(3-methylcyclobutyl)-1-(4-methylphenyl)ethane-1,2-diamine
SMILESCc1ccc(C(N)CNC2CC(C)C2)cc1
InChIInChI=1S/C14H22N2/c1-10-3-5-12(6-4-10)14(15)9-16-13-7-11(2)8-13/h3-6,11,13-14,16H,7-9,15H2,1-2H3
InChIKeyPPMYJAZNZJKFPK-UHFFFAOYSA-N
XLogP2.38
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-(3-methylcyclobutyl)-1-(4-methylphenyl)ethane-1,2-diamine?
The IUPAC name of N'-(3-methylcyclobutyl)-1-(4-methylphenyl)ethane-1,2-diamine (CID 106313130) is N'-(3-methylcyclobutyl)-1-(4-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(3-methylcyclobutyl)-1-(4-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-(3-methylcyclobutyl)-1-(4-methylphenyl)ethane-1,2-diamine is Cc1ccc(C(N)CNC2CC(C)C2)cc1.
What is the InChIKey of N'-(3-methylcyclobutyl)-1-(4-methylphenyl)ethane-1,2-diamine?
The InChIKey is PPMYJAZNZJKFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-10-3-5-12(6-4-10)14(15)9-16-13-7-11(2)8-13/h3-6,11,13-14,16H,7-9,15H2,1-2H3.
What are the key properties of N'-(3-methylcyclobutyl)-1-(4-methylphenyl)ethane-1,2-diamine?
N'-(3-methylcyclobutyl)-1-(4-methylphenyl)ethane-1,2-diamine has a molecular weight of 218.34 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methylcyclobutyl)-1-(4-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 106313130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).