2-N,2-diethyl-2-N-(oxolan-2-ylmethyl)butane-1,2-diamine

C13H28N2O — CID 61433954

IUPAC2-N,2-diethyl-2-N-(oxolan-2-ylmethyl)butane-1,2-diamine
SMILESCCN(CC1CCCO1)C(CC)(CC)CN
InChIInChI=1S/C13H28N2O/c1-4-13(5-2,11-14)15(6-3)10-12-8-7-9-16-12/h12H,4-11,14H2,1-3H3
InChIKeyJBCCADBKSWTBMA-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.00
Rot. Bonds7

About 2-N,2-diethyl-2-N-(oxolan-2-ylmethyl)butane-1,2-diamine

2-N,2-diethyl-2-N-(oxolan-2-ylmethyl)butane-1,2-diamine (PubChem CID 61433954) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-N,2-diethyl-2-N-(oxolan-2-ylmethyl)butane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-diethyl-2-N-(oxolan-2-ylmethyl)butane-1,2-diamine
PubChem CID61433954
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name2-N,2-diethyl-2-N-(oxolan-2-ylmethyl)butane-1,2-diamine
SMILESCCN(CC1CCCO1)C(CC)(CC)CN
InChIInChI=1S/C13H28N2O/c1-4-13(5-2,11-14)15(6-3)10-12-8-7-9-16-12/h12H,4-11,14H2,1-3H3
InChIKeyJBCCADBKSWTBMA-UHFFFAOYSA-N
XLogP2.00
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-diethyl-2-N-(oxolan-2-ylmethyl)butane-1,2-diamine?
The IUPAC name of 2-N,2-diethyl-2-N-(oxolan-2-ylmethyl)butane-1,2-diamine (CID 61433954) is 2-N,2-diethyl-2-N-(oxolan-2-ylmethyl)butane-1,2-diamine.
What is the SMILES notation for 2-N,2-diethyl-2-N-(oxolan-2-ylmethyl)butane-1,2-diamine?
The canonical SMILES for 2-N,2-diethyl-2-N-(oxolan-2-ylmethyl)butane-1,2-diamine is CCN(CC1CCCO1)C(CC)(CC)CN.
What is the InChIKey of 2-N,2-diethyl-2-N-(oxolan-2-ylmethyl)butane-1,2-diamine?
The InChIKey is JBCCADBKSWTBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-4-13(5-2,11-14)15(6-3)10-12-8-7-9-16-12/h12H,4-11,14H2,1-3H3.
What are the key properties of 2-N,2-diethyl-2-N-(oxolan-2-ylmethyl)butane-1,2-diamine?
2-N,2-diethyl-2-N-(oxolan-2-ylmethyl)butane-1,2-diamine has a molecular weight of 228.38 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-diethyl-2-N-(oxolan-2-ylmethyl)butane-1,2-diamine is sourced from PubChem (CID 61433954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).