butane;N-ethylethanamine;propane;dihydrate

C15H43NO2 — CID 159986804

IUPACbutane;N-ethylethanamine;propane;dihydrate
SMILESCCC.CCCC.CCCC.CCNCC.O.O
InChIInChI=1S/C4H11N.2C4H10.C3H8.2H2O/c1-3-5-4-2;2*1-3-4-2;1-3-2;;/h5H,3-4H2,1-2H3;2*3-4H2,1-2H3;3H2,1-2H3;2*1H2
InChIKeyMESOWIWZSKVJQB-UHFFFAOYSA-N
MW269.51 g/mol
LogP4.00
Rot. Bonds4

About butane;N-ethylethanamine;propane;dihydrate

butane;N-ethylethanamine;propane;dihydrate (PubChem CID 159986804) has the molecular formula C15H43NO2 and a molecular weight of 269.51 g/mol. Its IUPAC name is butane;N-ethylethanamine;propane;dihydrate.

Molecular Properties

Compound Namebutane;N-ethylethanamine;propane;dihydrate
PubChem CID159986804
Molecular FormulaC15H43NO2
Molecular Weight269.51 g/mol
Exact Mass269.33
IUPAC Namebutane;N-ethylethanamine;propane;dihydrate
SMILESCCC.CCCC.CCCC.CCNCC.O.O
InChIInChI=1S/C4H11N.2C4H10.C3H8.2H2O/c1-3-5-4-2;2*1-3-4-2;1-3-2;;/h5H,3-4H2,1-2H3;2*3-4H2,1-2H3;3H2,1-2H3;2*1H2
InChIKeyMESOWIWZSKVJQB-UHFFFAOYSA-N
XLogP4.00
TPSA75.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.51
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of butane;N-ethylethanamine;propane;dihydrate?
The IUPAC name of butane;N-ethylethanamine;propane;dihydrate (CID 159986804) is butane;N-ethylethanamine;propane;dihydrate.
What is the SMILES notation for butane;N-ethylethanamine;propane;dihydrate?
The canonical SMILES for butane;N-ethylethanamine;propane;dihydrate is CCC.CCCC.CCCC.CCNCC.O.O.
What is the InChIKey of butane;N-ethylethanamine;propane;dihydrate?
The InChIKey is MESOWIWZSKVJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N.2C4H10.C3H8.2H2O/c1-3-5-4-2;2*1-3-4-2;1-3-2;;/h5H,3-4H2,1-2H3;2*3-4H2,1-2H3;3H2,1-2H3;2*1H2.
What are the key properties of butane;N-ethylethanamine;propane;dihydrate?
butane;N-ethylethanamine;propane;dihydrate has a molecular weight of 269.51 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butane;N-ethylethanamine;propane;dihydrate is sourced from PubChem (CID 159986804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).