N-benzyl-N-ethylethanamine;ethene

C13H21N — CID 174895763

IUPACN-benzyl-N-ethylethanamine;ethene
SMILESC=C.CCN(CC)Cc1ccccc1
InChIInChI=1S/C11H17N.C2H4/c1-3-12(4-2)10-11-8-6-5-7-9-11;1-2/h5-9H,3-4,10H2,1-2H3;1-2H2
InChIKeyUQWLWQKGGAMTOP-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.33
Rot. Bonds4

About N-benzyl-N-ethylethanamine;ethene

N-benzyl-N-ethylethanamine;ethene (PubChem CID 174895763) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is N-benzyl-N-ethylethanamine;ethene.

Molecular Properties

Compound NameN-benzyl-N-ethylethanamine;ethene
PubChem CID174895763
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC NameN-benzyl-N-ethylethanamine;ethene
SMILESC=C.CCN(CC)Cc1ccccc1
InChIInChI=1S/C11H17N.C2H4/c1-3-12(4-2)10-11-8-6-5-7-9-11;1-2/h5-9H,3-4,10H2,1-2H3;1-2H2
InChIKeyUQWLWQKGGAMTOP-UHFFFAOYSA-N
XLogP3.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-ethylethanamine;methanethiol
CID 142975470
benzoic acid;N-benzyl-N-ethylethanamine
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CID 174855522
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CID 22685949
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CID 55027071
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CID 143578838
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CID 783617
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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethylethanamine;ethene?
The IUPAC name of N-benzyl-N-ethylethanamine;ethene (CID 174895763) is N-benzyl-N-ethylethanamine;ethene.
What is the SMILES notation for N-benzyl-N-ethylethanamine;ethene?
The canonical SMILES for N-benzyl-N-ethylethanamine;ethene is C=C.CCN(CC)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-ethylethanamine;ethene?
The InChIKey is UQWLWQKGGAMTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N.C2H4/c1-3-12(4-2)10-11-8-6-5-7-9-11;1-2/h5-9H,3-4,10H2,1-2H3;1-2H2.
What are the key properties of N-benzyl-N-ethylethanamine;ethene?
N-benzyl-N-ethylethanamine;ethene has a molecular weight of 191.32 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethylethanamine;ethene is sourced from PubChem (CID 174895763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).