2-N-(2-methoxyethyl)-2-N-pentan-3-yl-1-N-prop-2-enylpropane-1,2-diamine

C14H30N2O — CID 55087911

IUPAC2-N-(2-methoxyethyl)-2-N-pentan-3-yl-1-N-prop-2-enylpropane-1,2-diamine
SMILESC=CCNCC(C)N(CCOC)C(CC)CC
InChIInChI=1S/C14H30N2O/c1-6-9-15-12-13(4)16(10-11-17-5)14(7-2)8-3/h6,13-15H,1,7-12H2,2-5H3
InChIKeyNAIFPZZQIPPTNR-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.29
Rot. Bonds11

About 2-N-(2-methoxyethyl)-2-N-pentan-3-yl-1-N-prop-2-enylpropane-1,2-diamine

2-N-(2-methoxyethyl)-2-N-pentan-3-yl-1-N-prop-2-enylpropane-1,2-diamine (PubChem CID 55087911) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 2-N-(2-methoxyethyl)-2-N-pentan-3-yl-1-N-prop-2-enylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-methoxyethyl)-2-N-pentan-3-yl-1-N-prop-2-enylpropane-1,2-diamine
PubChem CID55087911
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name2-N-(2-methoxyethyl)-2-N-pentan-3-yl-1-N-prop-2-enylpropane-1,2-diamine
SMILESC=CCNCC(C)N(CCOC)C(CC)CC
InChIInChI=1S/C14H30N2O/c1-6-9-15-12-13(4)16(10-11-17-5)14(7-2)8-3/h6,13-15H,1,7-12H2,2-5H3
InChIKeyNAIFPZZQIPPTNR-UHFFFAOYSA-N
XLogP2.29
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methoxyethyl)-2-N-pentan-3-yl-1-N-prop-2-enylpropane-1,2-diamine?
The IUPAC name of 2-N-(2-methoxyethyl)-2-N-pentan-3-yl-1-N-prop-2-enylpropane-1,2-diamine (CID 55087911) is 2-N-(2-methoxyethyl)-2-N-pentan-3-yl-1-N-prop-2-enylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(2-methoxyethyl)-2-N-pentan-3-yl-1-N-prop-2-enylpropane-1,2-diamine?
The canonical SMILES for 2-N-(2-methoxyethyl)-2-N-pentan-3-yl-1-N-prop-2-enylpropane-1,2-diamine is C=CCNCC(C)N(CCOC)C(CC)CC.
What is the InChIKey of 2-N-(2-methoxyethyl)-2-N-pentan-3-yl-1-N-prop-2-enylpropane-1,2-diamine?
The InChIKey is NAIFPZZQIPPTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-6-9-15-12-13(4)16(10-11-17-5)14(7-2)8-3/h6,13-15H,1,7-12H2,2-5H3.
What are the key properties of 2-N-(2-methoxyethyl)-2-N-pentan-3-yl-1-N-prop-2-enylpropane-1,2-diamine?
2-N-(2-methoxyethyl)-2-N-pentan-3-yl-1-N-prop-2-enylpropane-1,2-diamine has a molecular weight of 242.41 g/mol, XLogP of 2.29, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methoxyethyl)-2-N-pentan-3-yl-1-N-prop-2-enylpropane-1,2-diamine is sourced from PubChem (CID 55087911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).