N-butan-2-yl-N-(2-methoxyethyl)-2,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine

C16H36N2O — CID 62259831

IUPACN-butan-2-yl-N-(2-methoxyethyl)-2,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine
SMILESCCC(C)N(CCOC)CC(C)(C)CNCC(C)C
InChIInChI=1S/C16H36N2O/c1-8-15(4)18(9-10-19-7)13-16(5,6)12-17-11-14(2)3/h14-15,17H,8-13H2,1-7H3
InChIKeyZJEZRARJIMESCU-UHFFFAOYSA-N
MW272.48 g/mol
LogP3.01
Rot. Bonds11

About N-butan-2-yl-N-(2-methoxyethyl)-2,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine

N-butan-2-yl-N-(2-methoxyethyl)-2,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine (PubChem CID 62259831) has the molecular formula C16H36N2O and a molecular weight of 272.48 g/mol. Its IUPAC name is N-butan-2-yl-N-(2-methoxyethyl)-2,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-butan-2-yl-N-(2-methoxyethyl)-2,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine
PubChem CID62259831
Molecular FormulaC16H36N2O
Molecular Weight272.48 g/mol
Exact Mass272.28
IUPAC NameN-butan-2-yl-N-(2-methoxyethyl)-2,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine
SMILESCCC(C)N(CCOC)CC(C)(C)CNCC(C)C
InChIInChI=1S/C16H36N2O/c1-8-15(4)18(9-10-19-7)13-16(5,6)12-17-11-14(2)3/h14-15,17H,8-13H2,1-7H3
InChIKeyZJEZRARJIMESCU-UHFFFAOYSA-N
XLogP3.01
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.48
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-(2-methoxyethyl)-2,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine?
The IUPAC name of N-butan-2-yl-N-(2-methoxyethyl)-2,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine (CID 62259831) is N-butan-2-yl-N-(2-methoxyethyl)-2,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine.
What is the SMILES notation for N-butan-2-yl-N-(2-methoxyethyl)-2,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine?
The canonical SMILES for N-butan-2-yl-N-(2-methoxyethyl)-2,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine is CCC(C)N(CCOC)CC(C)(C)CNCC(C)C.
What is the InChIKey of N-butan-2-yl-N-(2-methoxyethyl)-2,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine?
The InChIKey is ZJEZRARJIMESCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2O/c1-8-15(4)18(9-10-19-7)13-16(5,6)12-17-11-14(2)3/h14-15,17H,8-13H2,1-7H3.
What are the key properties of N-butan-2-yl-N-(2-methoxyethyl)-2,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine?
N-butan-2-yl-N-(2-methoxyethyl)-2,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine has a molecular weight of 272.48 g/mol, XLogP of 3.01, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-(2-methoxyethyl)-2,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine is sourced from PubChem (CID 62259831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).