2-N-[2-(3-methylbutoxy)ethyl]propane-1,2-diamine

C10H24N2O — CID 103389691

IUPAC2-N-[2-(3-methylbutoxy)ethyl]propane-1,2-diamine
SMILESCC(C)CCOCCNC(C)CN
InChIInChI=1S/C10H24N2O/c1-9(2)4-6-13-7-5-12-10(3)8-11/h9-10,12H,4-8,11H2,1-3H3
InChIKeyOJMFEGLEKBVANN-UHFFFAOYSA-N
MW188.31 g/mol
LogP0.99
Rot. Bonds8

About 2-N-[2-(3-methylbutoxy)ethyl]propane-1,2-diamine

2-N-[2-(3-methylbutoxy)ethyl]propane-1,2-diamine (PubChem CID 103389691) has the molecular formula C10H24N2O and a molecular weight of 188.31 g/mol. Its IUPAC name is 2-N-[2-(3-methylbutoxy)ethyl]propane-1,2-diamine.

Molecular Properties

Compound Name2-N-[2-(3-methylbutoxy)ethyl]propane-1,2-diamine
PubChem CID103389691
Molecular FormulaC10H24N2O
Molecular Weight188.31 g/mol
Exact Mass188.19
IUPAC Name2-N-[2-(3-methylbutoxy)ethyl]propane-1,2-diamine
SMILESCC(C)CCOCCNC(C)CN
InChIInChI=1S/C10H24N2O/c1-9(2)4-6-13-7-5-12-10(3)8-11/h9-10,12H,4-8,11H2,1-3H3
InChIKeyOJMFEGLEKBVANN-UHFFFAOYSA-N
XLogP0.99
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-N-[2-(3-methylbutoxy)ethyl]propan-2-amine
CID 107859702
2-[2-(1-aminopropan-2-ylamino)ethoxy]ethanol
CID 103387646
N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]propan-2-amine;molecular hydrogen
CID 171507882
3-methyl-1-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane
CID 118631027
gallane;3-methyl-1-(3-methylbutoxy)butane
CID 174967258
tert-butyl N-[2-[2-(3-methylbutoxy)ethylamino]propyl]carbamate
CID 103389692
3-methyl-1-(3-methylbutoxy)butane;molecular iodine
CID 131712143
2-amino-N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]acetamide;ethane
CID 155748733
N-ethyl-2-[2-(3-methylbutoxy)ethoxy]ethanamine
CID 62336857
N-ethyl-2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 155459726
N-[2-(3-methylbutoxy)ethyl]-1-thiophen-3-ylpropan-2-amine
CID 54956098
N-[2-(3-methylbutoxy)ethyl]-1-phenylethanamine
CID 61483773

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(3-methylbutoxy)ethyl]propane-1,2-diamine?
The IUPAC name of 2-N-[2-(3-methylbutoxy)ethyl]propane-1,2-diamine (CID 103389691) is 2-N-[2-(3-methylbutoxy)ethyl]propane-1,2-diamine.
What is the SMILES notation for 2-N-[2-(3-methylbutoxy)ethyl]propane-1,2-diamine?
The canonical SMILES for 2-N-[2-(3-methylbutoxy)ethyl]propane-1,2-diamine is CC(C)CCOCCNC(C)CN.
What is the InChIKey of 2-N-[2-(3-methylbutoxy)ethyl]propane-1,2-diamine?
The InChIKey is OJMFEGLEKBVANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O/c1-9(2)4-6-13-7-5-12-10(3)8-11/h9-10,12H,4-8,11H2,1-3H3.
What are the key properties of 2-N-[2-(3-methylbutoxy)ethyl]propane-1,2-diamine?
2-N-[2-(3-methylbutoxy)ethyl]propane-1,2-diamine has a molecular weight of 188.31 g/mol, XLogP of 0.99, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(3-methylbutoxy)ethyl]propane-1,2-diamine is sourced from PubChem (CID 103389691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).