2-N-(3-methoxypropyl)-1-N,1-N,3-trimethylbutane-1,2-diamine

C11H26N2O — CID 61477124

IUPAC2-N-(3-methoxypropyl)-1-N,1-N,3-trimethylbutane-1,2-diamine
SMILESCOCCCNC(CN(C)C)C(C)C
InChIInChI=1S/C11H26N2O/c1-10(2)11(9-13(3)4)12-7-6-8-14-5/h10-12H,6-9H2,1-5H3
InChIKeyFWWBLUXSPABANK-UHFFFAOYSA-N
MW202.34 g/mol
LogP1.20
Rot. Bonds8

About 2-N-(3-methoxypropyl)-1-N,1-N,3-trimethylbutane-1,2-diamine

2-N-(3-methoxypropyl)-1-N,1-N,3-trimethylbutane-1,2-diamine (PubChem CID 61477124) has the molecular formula C11H26N2O and a molecular weight of 202.34 g/mol. Its IUPAC name is 2-N-(3-methoxypropyl)-1-N,1-N,3-trimethylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-(3-methoxypropyl)-1-N,1-N,3-trimethylbutane-1,2-diamine
PubChem CID61477124
Molecular FormulaC11H26N2O
Molecular Weight202.34 g/mol
Exact Mass202.20
IUPAC Name2-N-(3-methoxypropyl)-1-N,1-N,3-trimethylbutane-1,2-diamine
SMILESCOCCCNC(CN(C)C)C(C)C
InChIInChI=1S/C11H26N2O/c1-10(2)11(9-13(3)4)12-7-6-8-14-5/h10-12H,6-9H2,1-5H3
InChIKeyFWWBLUXSPABANK-UHFFFAOYSA-N
XLogP1.20
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(3-methoxypropyl)-1-N,1-N,3-trimethylbutane-1,2-diamine?
The IUPAC name of 2-N-(3-methoxypropyl)-1-N,1-N,3-trimethylbutane-1,2-diamine (CID 61477124) is 2-N-(3-methoxypropyl)-1-N,1-N,3-trimethylbutane-1,2-diamine.
What is the SMILES notation for 2-N-(3-methoxypropyl)-1-N,1-N,3-trimethylbutane-1,2-diamine?
The canonical SMILES for 2-N-(3-methoxypropyl)-1-N,1-N,3-trimethylbutane-1,2-diamine is COCCCNC(CN(C)C)C(C)C.
What is the InChIKey of 2-N-(3-methoxypropyl)-1-N,1-N,3-trimethylbutane-1,2-diamine?
The InChIKey is FWWBLUXSPABANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O/c1-10(2)11(9-13(3)4)12-7-6-8-14-5/h10-12H,6-9H2,1-5H3.
What are the key properties of 2-N-(3-methoxypropyl)-1-N,1-N,3-trimethylbutane-1,2-diamine?
2-N-(3-methoxypropyl)-1-N,1-N,3-trimethylbutane-1,2-diamine has a molecular weight of 202.34 g/mol, XLogP of 1.20, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-methoxypropyl)-1-N,1-N,3-trimethylbutane-1,2-diamine is sourced from PubChem (CID 61477124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).