N-[2-(dimethylamino)ethyl]-N'-ethyl-2-methyl-N-(2-methylpropyl)-2-propylpropane-1,3-diamine

C17H39N3 — CID 62257607

IUPACN-[2-(dimethylamino)ethyl]-N'-ethyl-2-methyl-N-(2-methylpropyl)-2-propylpropane-1,3-diamine
SMILESCCCC(C)(CNCC)CN(CCN(C)C)CC(C)C
InChIInChI=1S/C17H39N3/c1-8-10-17(5,14-18-9-2)15-20(13-16(3)4)12-11-19(6)7/h16,18H,8-15H2,1-7H3
InChIKeyJKIGUWMDDJYYCZ-UHFFFAOYSA-N
MW285.52 g/mol
LogP2.92
Rot. Bonds12

About N-[2-(dimethylamino)ethyl]-N'-ethyl-2-methyl-N-(2-methylpropyl)-2-propylpropane-1,3-diamine

N-[2-(dimethylamino)ethyl]-N'-ethyl-2-methyl-N-(2-methylpropyl)-2-propylpropane-1,3-diamine (PubChem CID 62257607) has the molecular formula C17H39N3 and a molecular weight of 285.52 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N'-ethyl-2-methyl-N-(2-methylpropyl)-2-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N'-ethyl-2-methyl-N-(2-methylpropyl)-2-propylpropane-1,3-diamine
PubChem CID62257607
Molecular FormulaC17H39N3
Molecular Weight285.52 g/mol
Exact Mass285.31
IUPAC NameN-[2-(dimethylamino)ethyl]-N'-ethyl-2-methyl-N-(2-methylpropyl)-2-propylpropane-1,3-diamine
SMILESCCCC(C)(CNCC)CN(CCN(C)C)CC(C)C
InChIInChI=1S/C17H39N3/c1-8-10-17(5,14-18-9-2)15-20(13-16(3)4)12-11-19(6)7/h16,18H,8-15H2,1-7H3
InChIKeyJKIGUWMDDJYYCZ-UHFFFAOYSA-N
XLogP2.92
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.52
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N'-ethyl-2-methyl-N-(2-methylpropyl)-2-propylpropane-1,3-diamine?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N'-ethyl-2-methyl-N-(2-methylpropyl)-2-propylpropane-1,3-diamine (CID 62257607) is N-[2-(dimethylamino)ethyl]-N'-ethyl-2-methyl-N-(2-methylpropyl)-2-propylpropane-1,3-diamine.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N'-ethyl-2-methyl-N-(2-methylpropyl)-2-propylpropane-1,3-diamine?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N'-ethyl-2-methyl-N-(2-methylpropyl)-2-propylpropane-1,3-diamine is CCCC(C)(CNCC)CN(CCN(C)C)CC(C)C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N'-ethyl-2-methyl-N-(2-methylpropyl)-2-propylpropane-1,3-diamine?
The InChIKey is JKIGUWMDDJYYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H39N3/c1-8-10-17(5,14-18-9-2)15-20(13-16(3)4)12-11-19(6)7/h16,18H,8-15H2,1-7H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N'-ethyl-2-methyl-N-(2-methylpropyl)-2-propylpropane-1,3-diamine?
N-[2-(dimethylamino)ethyl]-N'-ethyl-2-methyl-N-(2-methylpropyl)-2-propylpropane-1,3-diamine has a molecular weight of 285.52 g/mol, XLogP of 2.92, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N'-ethyl-2-methyl-N-(2-methylpropyl)-2-propylpropane-1,3-diamine is sourced from PubChem (CID 62257607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).