N-butan-2-yl-N-(2-methoxyethyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine

C14H30N2O2 — CID 82836012

IUPACN-butan-2-yl-N-(2-methoxyethyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine
SMILESCCC(C)N(CCOC)C(CN)C1CCC(C)O1
InChIInChI=1S/C14H30N2O2/c1-5-11(2)16(8-9-17-4)13(10-15)14-7-6-12(3)18-14/h11-14H,5-10,15H2,1-4H3
InChIKeyBOSORIYLTZCSPO-UHFFFAOYSA-N
MW258.41 g/mol
LogP1.63
Rot. Bonds8

About N-butan-2-yl-N-(2-methoxyethyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine

N-butan-2-yl-N-(2-methoxyethyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine (PubChem CID 82836012) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is N-butan-2-yl-N-(2-methoxyethyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-butan-2-yl-N-(2-methoxyethyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine
PubChem CID82836012
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC NameN-butan-2-yl-N-(2-methoxyethyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine
SMILESCCC(C)N(CCOC)C(CN)C1CCC(C)O1
InChIInChI=1S/C14H30N2O2/c1-5-11(2)16(8-9-17-4)13(10-15)14-7-6-12(3)18-14/h11-14H,5-10,15H2,1-4H3
InChIKeyBOSORIYLTZCSPO-UHFFFAOYSA-N
XLogP1.63
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-(2-methoxyethyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine?
The IUPAC name of N-butan-2-yl-N-(2-methoxyethyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine (CID 82836012) is N-butan-2-yl-N-(2-methoxyethyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-butan-2-yl-N-(2-methoxyethyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-butan-2-yl-N-(2-methoxyethyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine is CCC(C)N(CCOC)C(CN)C1CCC(C)O1.
What is the InChIKey of N-butan-2-yl-N-(2-methoxyethyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine?
The InChIKey is BOSORIYLTZCSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-5-11(2)16(8-9-17-4)13(10-15)14-7-6-12(3)18-14/h11-14H,5-10,15H2,1-4H3.
What are the key properties of N-butan-2-yl-N-(2-methoxyethyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine?
N-butan-2-yl-N-(2-methoxyethyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine has a molecular weight of 258.41 g/mol, XLogP of 1.63, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-(2-methoxyethyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 82836012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).