2-N,2-N-bis(2-ethoxyethyl)-3-methyl-1-N-propylbutane-1,2-diamine

C16H36N2O2 — CID 82952256

IUPAC2-N,2-N-bis(2-ethoxyethyl)-3-methyl-1-N-propylbutane-1,2-diamine
SMILESCCCNCC(C(C)C)N(CCOCC)CCOCC
InChIInChI=1S/C16H36N2O2/c1-6-9-17-14-16(15(4)5)18(10-12-19-7-2)11-13-20-8-3/h15-17H,6-14H2,1-5H3
InChIKeyHZPVVHYDFGGKFM-UHFFFAOYSA-N
MW288.48 g/mol
LogP2.39
Rot. Bonds14

About 2-N,2-N-bis(2-ethoxyethyl)-3-methyl-1-N-propylbutane-1,2-diamine

2-N,2-N-bis(2-ethoxyethyl)-3-methyl-1-N-propylbutane-1,2-diamine (PubChem CID 82952256) has the molecular formula C16H36N2O2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 2-N,2-N-bis(2-ethoxyethyl)-3-methyl-1-N-propylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-bis(2-ethoxyethyl)-3-methyl-1-N-propylbutane-1,2-diamine
PubChem CID82952256
Molecular FormulaC16H36N2O2
Molecular Weight288.48 g/mol
Exact Mass288.28
IUPAC Name2-N,2-N-bis(2-ethoxyethyl)-3-methyl-1-N-propylbutane-1,2-diamine
SMILESCCCNCC(C(C)C)N(CCOCC)CCOCC
InChIInChI=1S/C16H36N2O2/c1-6-9-17-14-16(15(4)5)18(10-12-19-7-2)11-13-20-8-3/h15-17H,6-14H2,1-5H3
InChIKeyHZPVVHYDFGGKFM-UHFFFAOYSA-N
XLogP2.39
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-bis(2-ethoxyethyl)-3-methyl-1-N-propylbutane-1,2-diamine?
The IUPAC name of 2-N,2-N-bis(2-ethoxyethyl)-3-methyl-1-N-propylbutane-1,2-diamine (CID 82952256) is 2-N,2-N-bis(2-ethoxyethyl)-3-methyl-1-N-propylbutane-1,2-diamine.
What is the SMILES notation for 2-N,2-N-bis(2-ethoxyethyl)-3-methyl-1-N-propylbutane-1,2-diamine?
The canonical SMILES for 2-N,2-N-bis(2-ethoxyethyl)-3-methyl-1-N-propylbutane-1,2-diamine is CCCNCC(C(C)C)N(CCOCC)CCOCC.
What is the InChIKey of 2-N,2-N-bis(2-ethoxyethyl)-3-methyl-1-N-propylbutane-1,2-diamine?
The InChIKey is HZPVVHYDFGGKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2O2/c1-6-9-17-14-16(15(4)5)18(10-12-19-7-2)11-13-20-8-3/h15-17H,6-14H2,1-5H3.
What are the key properties of 2-N,2-N-bis(2-ethoxyethyl)-3-methyl-1-N-propylbutane-1,2-diamine?
2-N,2-N-bis(2-ethoxyethyl)-3-methyl-1-N-propylbutane-1,2-diamine has a molecular weight of 288.48 g/mol, XLogP of 2.39, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-bis(2-ethoxyethyl)-3-methyl-1-N-propylbutane-1,2-diamine is sourced from PubChem (CID 82952256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).