N'-(cyclobutylmethyl)-N'-methyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine

C17H28N2O — CID 62861835

IUPACN'-(cyclobutylmethyl)-N'-methyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
SMILESCC(C)Oc1ccc(C(N)CN(C)CC2CCC2)cc1
InChIInChI=1S/C17H28N2O/c1-13(2)20-16-9-7-15(8-10-16)17(18)12-19(3)11-14-5-4-6-14/h7-10,13-14,17H,4-6,11-12,18H2,1-3H3
InChIKeyPEYYSQCUFKDMKM-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.21
Rot. Bonds7

About N'-(cyclobutylmethyl)-N'-methyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine

N'-(cyclobutylmethyl)-N'-methyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine (PubChem CID 62861835) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N'-(cyclobutylmethyl)-N'-methyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(cyclobutylmethyl)-N'-methyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
PubChem CID62861835
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN'-(cyclobutylmethyl)-N'-methyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
SMILESCC(C)Oc1ccc(C(N)CN(C)CC2CCC2)cc1
InChIInChI=1S/C17H28N2O/c1-13(2)20-16-9-7-15(8-10-16)17(18)12-19(3)11-14-5-4-6-14/h7-10,13-14,17H,4-6,11-12,18H2,1-3H3
InChIKeyPEYYSQCUFKDMKM-UHFFFAOYSA-N
XLogP3.21
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-(cyclobutylmethyl)-N'-methyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine?
The IUPAC name of N'-(cyclobutylmethyl)-N'-methyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine (CID 62861835) is N'-(cyclobutylmethyl)-N'-methyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(cyclobutylmethyl)-N'-methyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-(cyclobutylmethyl)-N'-methyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine is CC(C)Oc1ccc(C(N)CN(C)CC2CCC2)cc1.
What is the InChIKey of N'-(cyclobutylmethyl)-N'-methyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine?
The InChIKey is PEYYSQCUFKDMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-13(2)20-16-9-7-15(8-10-16)17(18)12-19(3)11-14-5-4-6-14/h7-10,13-14,17H,4-6,11-12,18H2,1-3H3.
What are the key properties of N'-(cyclobutylmethyl)-N'-methyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine?
N'-(cyclobutylmethyl)-N'-methyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine has a molecular weight of 276.42 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclobutylmethyl)-N'-methyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 62861835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).