2,2-dimethyl-N'-[1-(5-methylfuran-2-yl)ethyl]-N'-propylpropane-1,3-diamine

C15H28N2O — CID 79668547

IUPAC2,2-dimethyl-N'-[1-(5-methylfuran-2-yl)ethyl]-N'-propylpropane-1,3-diamine
SMILESCCCN(CC(C)(C)CN)C(C)c1ccc(C)o1
InChIInChI=1S/C15H28N2O/c1-6-9-17(11-15(4,5)10-16)13(3)14-8-7-12(2)18-14/h7-8,13H,6,9-11,16H2,1-5H3
InChIKeyJBGAUNZMVUILSB-UHFFFAOYSA-N
MW252.40 g/mol
LogP3.35
Rot. Bonds7

About 2,2-dimethyl-N'-[1-(5-methylfuran-2-yl)ethyl]-N'-propylpropane-1,3-diamine

2,2-dimethyl-N'-[1-(5-methylfuran-2-yl)ethyl]-N'-propylpropane-1,3-diamine (PubChem CID 79668547) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 2,2-dimethyl-N'-[1-(5-methylfuran-2-yl)ethyl]-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound Name2,2-dimethyl-N'-[1-(5-methylfuran-2-yl)ethyl]-N'-propylpropane-1,3-diamine
PubChem CID79668547
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name2,2-dimethyl-N'-[1-(5-methylfuran-2-yl)ethyl]-N'-propylpropane-1,3-diamine
SMILESCCCN(CC(C)(C)CN)C(C)c1ccc(C)o1
InChIInChI=1S/C15H28N2O/c1-6-9-17(11-15(4,5)10-16)13(3)14-8-7-12(2)18-14/h7-8,13H,6,9-11,16H2,1-5H3
InChIKeyJBGAUNZMVUILSB-UHFFFAOYSA-N
XLogP3.35
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[1-(5-bromofuran-2-yl)ethyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 104653819
2,2-dimethyl-N'-[1-(2-methylphenyl)ethyl]-N'-propylpropane-1,3-diamine
CID 79668294
N'-[1-[4-(dimethylamino)phenyl]ethyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79662952
2-[1-[(3-amino-2,2-dimethylpropyl)-propylamino]ethyl]benzene-1,3-diol
CID 107711458
N'-[1-(2,5-dimethylphenyl)ethyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79668132
2,2-dimethyl-N'-[1-(3-methylthiophen-2-yl)ethyl]-N'-propylpropane-1,3-diamine
CID 79668305
2,2-dimethyl-N'-propan-2-yl-N'-propylpropane-1,3-diamine
CID 62263476
2-[1-[(3-amino-2,2-dimethylpropyl)-propylamino]ethyl]-4-methylphenol
CID 79660774
N'-[1-(5-chlorothiophen-2-yl)ethyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79667729
N'-[1-(2-chloro-4-fluorophenyl)ethyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79668052
N,N,3,3-tetramethyl-1-(5-methylfuran-2-yl)butane-1,4-diamine
CID 116905767
2,2-dimethyl-N'-(3-methylpentan-2-yl)-N'-propylpropane-1,3-diamine
CID 79661050

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N'-[1-(5-methylfuran-2-yl)ethyl]-N'-propylpropane-1,3-diamine?
The IUPAC name of 2,2-dimethyl-N'-[1-(5-methylfuran-2-yl)ethyl]-N'-propylpropane-1,3-diamine (CID 79668547) is 2,2-dimethyl-N'-[1-(5-methylfuran-2-yl)ethyl]-N'-propylpropane-1,3-diamine.
What is the SMILES notation for 2,2-dimethyl-N'-[1-(5-methylfuran-2-yl)ethyl]-N'-propylpropane-1,3-diamine?
The canonical SMILES for 2,2-dimethyl-N'-[1-(5-methylfuran-2-yl)ethyl]-N'-propylpropane-1,3-diamine is CCCN(CC(C)(C)CN)C(C)c1ccc(C)o1.
What is the InChIKey of 2,2-dimethyl-N'-[1-(5-methylfuran-2-yl)ethyl]-N'-propylpropane-1,3-diamine?
The InChIKey is JBGAUNZMVUILSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-6-9-17(11-15(4,5)10-16)13(3)14-8-7-12(2)18-14/h7-8,13H,6,9-11,16H2,1-5H3.
What are the key properties of 2,2-dimethyl-N'-[1-(5-methylfuran-2-yl)ethyl]-N'-propylpropane-1,3-diamine?
2,2-dimethyl-N'-[1-(5-methylfuran-2-yl)ethyl]-N'-propylpropane-1,3-diamine has a molecular weight of 252.40 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N'-[1-(5-methylfuran-2-yl)ethyl]-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 79668547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).