1-cyclohexa-1,3-dien-1-yl-N-ethylethanamine

C10H17N — CID 67892069

IUPAC1-cyclohexa-1,3-dien-1-yl-N-ethylethanamine
SMILESCCNC(C)C1=CC=CCC1
InChIInChI=1S/C10H17N/c1-3-11-9(2)10-7-5-4-6-8-10/h4-5,7,9,11H,3,6,8H2,1-2H3
InChIKeyNENGIFPMBUJKIL-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.26
Rot. Bonds3

About 1-cyclohexa-1,3-dien-1-yl-N-ethylethanamine

1-cyclohexa-1,3-dien-1-yl-N-ethylethanamine (PubChem CID 67892069) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 1-cyclohexa-1,3-dien-1-yl-N-ethylethanamine.

Molecular Properties

Compound Name1-cyclohexa-1,3-dien-1-yl-N-ethylethanamine
PubChem CID67892069
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name1-cyclohexa-1,3-dien-1-yl-N-ethylethanamine
SMILESCCNC(C)C1=CC=CCC1
InChIInChI=1S/C10H17N/c1-3-11-9(2)10-7-5-4-6-8-10/h4-5,7,9,11H,3,6,8H2,1-2H3
InChIKeyNENGIFPMBUJKIL-UHFFFAOYSA-N
XLogP2.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 23646101
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CID 2859356
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CID 5281689
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CID 23646103
CID 23646103
CID 139585096
CID 139585096
CID 57487843
CID 57487843
CID 580067
CID 580067
CID 2063692
CID 2063692
CID 20850
CID 20850
CID 28869
CID 28869
CID 164620837
CID 164620837

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,3-dien-1-yl-N-ethylethanamine?
The IUPAC name of 1-cyclohexa-1,3-dien-1-yl-N-ethylethanamine (CID 67892069) is 1-cyclohexa-1,3-dien-1-yl-N-ethylethanamine.
What is the SMILES notation for 1-cyclohexa-1,3-dien-1-yl-N-ethylethanamine?
The canonical SMILES for 1-cyclohexa-1,3-dien-1-yl-N-ethylethanamine is CCNC(C)C1=CC=CCC1.
What is the InChIKey of 1-cyclohexa-1,3-dien-1-yl-N-ethylethanamine?
The InChIKey is NENGIFPMBUJKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-3-11-9(2)10-7-5-4-6-8-10/h4-5,7,9,11H,3,6,8H2,1-2H3.
What are the key properties of 1-cyclohexa-1,3-dien-1-yl-N-ethylethanamine?
1-cyclohexa-1,3-dien-1-yl-N-ethylethanamine has a molecular weight of 151.25 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,3-dien-1-yl-N-ethylethanamine is sourced from PubChem (CID 67892069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).