2-N-ethyl-1-N,3,3-trimethyl-1-N-(2-propan-2-yloxyethyl)butane-1,2-diamine

C14H32N2O — CID 81055398

IUPAC2-N-ethyl-1-N,3,3-trimethyl-1-N-(2-propan-2-yloxyethyl)butane-1,2-diamine
SMILESCCNC(CN(C)CCOC(C)C)C(C)(C)C
InChIInChI=1S/C14H32N2O/c1-8-15-13(14(4,5)6)11-16(7)9-10-17-12(2)3/h12-13,15H,8-11H2,1-7H3
InChIKeyRUAZPDOYXMHFBW-UHFFFAOYSA-N
MW244.42 g/mol
LogP2.37
Rot. Bonds8

About 2-N-ethyl-1-N,3,3-trimethyl-1-N-(2-propan-2-yloxyethyl)butane-1,2-diamine

2-N-ethyl-1-N,3,3-trimethyl-1-N-(2-propan-2-yloxyethyl)butane-1,2-diamine (PubChem CID 81055398) has the molecular formula C14H32N2O and a molecular weight of 244.42 g/mol. Its IUPAC name is 2-N-ethyl-1-N,3,3-trimethyl-1-N-(2-propan-2-yloxyethyl)butane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-1-N,3,3-trimethyl-1-N-(2-propan-2-yloxyethyl)butane-1,2-diamine
PubChem CID81055398
Molecular FormulaC14H32N2O
Molecular Weight244.42 g/mol
Exact Mass244.25
IUPAC Name2-N-ethyl-1-N,3,3-trimethyl-1-N-(2-propan-2-yloxyethyl)butane-1,2-diamine
SMILESCCNC(CN(C)CCOC(C)C)C(C)(C)C
InChIInChI=1S/C14H32N2O/c1-8-15-13(14(4,5)6)11-16(7)9-10-17-12(2)3/h12-13,15H,8-11H2,1-7H3
InChIKeyRUAZPDOYXMHFBW-UHFFFAOYSA-N
XLogP2.37
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.42
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-1-N,3,3-trimethyl-1-N-(2-propan-2-yloxyethyl)butane-1,2-diamine?
The IUPAC name of 2-N-ethyl-1-N,3,3-trimethyl-1-N-(2-propan-2-yloxyethyl)butane-1,2-diamine (CID 81055398) is 2-N-ethyl-1-N,3,3-trimethyl-1-N-(2-propan-2-yloxyethyl)butane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-1-N,3,3-trimethyl-1-N-(2-propan-2-yloxyethyl)butane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-1-N,3,3-trimethyl-1-N-(2-propan-2-yloxyethyl)butane-1,2-diamine is CCNC(CN(C)CCOC(C)C)C(C)(C)C.
What is the InChIKey of 2-N-ethyl-1-N,3,3-trimethyl-1-N-(2-propan-2-yloxyethyl)butane-1,2-diamine?
The InChIKey is RUAZPDOYXMHFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O/c1-8-15-13(14(4,5)6)11-16(7)9-10-17-12(2)3/h12-13,15H,8-11H2,1-7H3.
What are the key properties of 2-N-ethyl-1-N,3,3-trimethyl-1-N-(2-propan-2-yloxyethyl)butane-1,2-diamine?
2-N-ethyl-1-N,3,3-trimethyl-1-N-(2-propan-2-yloxyethyl)butane-1,2-diamine has a molecular weight of 244.42 g/mol, XLogP of 2.37, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-1-N,3,3-trimethyl-1-N-(2-propan-2-yloxyethyl)butane-1,2-diamine is sourced from PubChem (CID 81055398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).