N-ethylethanamine;hydrate

C4H13NO — CID 71350986

IUPACN-ethylethanamine;hydrate
SMILESCCNCC.O
InChIInChI=1S/C4H11N.H2O/c1-3-5-4-2;/h5H,3-4H2,1-2H3;1H2
InChIKeyZEKHQGJLMVUSKE-UHFFFAOYSA-N
MW91.15 g/mol
LogP-0.21
Rot. Bonds2

About N-ethylethanamine;hydrate

N-ethylethanamine;hydrate (PubChem CID 71350986) has the molecular formula C4H13NO and a molecular weight of 91.15 g/mol. Its IUPAC name is N-ethylethanamine;hydrate.

Molecular Properties

Compound NameN-ethylethanamine;hydrate
PubChem CID71350986
Molecular FormulaC4H13NO
Molecular Weight91.15 g/mol
Exact Mass91.10
IUPAC NameN-ethylethanamine;hydrate
SMILESCCNCC.O
InChIInChI=1S/C4H11N.H2O/c1-3-5-4-2;/h5H,3-4H2,1-2H3;1H2
InChIKeyZEKHQGJLMVUSKE-UHFFFAOYSA-N
XLogP-0.21
TPSA43.53 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50091.15
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethylethanamine;hydrate?
The IUPAC name of N-ethylethanamine;hydrate (CID 71350986) is N-ethylethanamine;hydrate.
What is the SMILES notation for N-ethylethanamine;hydrate?
The canonical SMILES for N-ethylethanamine;hydrate is CCNCC.O.
What is the InChIKey of N-ethylethanamine;hydrate?
The InChIKey is ZEKHQGJLMVUSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N.H2O/c1-3-5-4-2;/h5H,3-4H2,1-2H3;1H2.
What are the key properties of N-ethylethanamine;hydrate?
N-ethylethanamine;hydrate has a molecular weight of 91.15 g/mol, XLogP of -0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylethanamine;hydrate is sourced from PubChem (CID 71350986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).