1-(6-bicyclo[3.1.0]hexanyl)-N-ethyl-4-phenylbutan-1-amine

C18H27N — CID 115849575

IUPAC1-(6-bicyclo[3.1.0]hexanyl)-N-ethyl-4-phenylbutan-1-amine
SMILESCCNC(CCCc1ccccc1)C1C2CCCC21
InChIInChI=1S/C18H27N/c1-2-19-17(18-15-11-7-12-16(15)18)13-6-10-14-8-4-3-5-9-14/h3-5,8-9,15-19H,2,6-7,10-13H2,1H3
InChIKeyWJXFTOCGUPILPY-UHFFFAOYSA-N
MW257.42 g/mol
LogP4.03
Rot. Bonds7

About 1-(6-bicyclo[3.1.0]hexanyl)-N-ethyl-4-phenylbutan-1-amine

1-(6-bicyclo[3.1.0]hexanyl)-N-ethyl-4-phenylbutan-1-amine (PubChem CID 115849575) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is 1-(6-bicyclo[3.1.0]hexanyl)-N-ethyl-4-phenylbutan-1-amine.

Molecular Properties

Compound Name1-(6-bicyclo[3.1.0]hexanyl)-N-ethyl-4-phenylbutan-1-amine
PubChem CID115849575
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC Name1-(6-bicyclo[3.1.0]hexanyl)-N-ethyl-4-phenylbutan-1-amine
SMILESCCNC(CCCc1ccccc1)C1C2CCCC21
InChIInChI=1S/C18H27N/c1-2-19-17(18-15-11-7-12-16(15)18)13-6-10-14-8-4-3-5-9-14/h3-5,8-9,15-19H,2,6-7,10-13H2,1H3
InChIKeyWJXFTOCGUPILPY-UHFFFAOYSA-N
XLogP4.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(7-bicyclo[4.1.0]heptanyl)-3-phenyl-N-propylpropan-1-amine
CID 115793737
N-ethyl-1-(4-ethylcyclohexyl)-4-phenylbutan-1-amine
CID 65394984
N-ethyl-1-(oxan-4-yl)-4-phenylbutan-1-amine
CID 65334608
1-(2,2-dimethylcyclohexyl)-N-ethyl-4-phenylbutan-1-amine
CID 107188459
1-(6-bicyclo[3.1.0]hexanyl)-N-ethyloctan-1-amine
CID 115832332
N-ethyl-1-(3-ethyl-1,4-dithian-2-yl)-4-phenylbutan-1-amine
CID 115388037
1-cyclopropyl-N-ethyl-2-(3-phenylpropoxy)ethanamine
CID 63908583
1-(4-methylcyclohexyl)-4-phenyl-N-propylbutan-1-amine
CID 63415913
N-ethyl-2,2-dimethyl-6-phenylhexan-3-amine
CID 62600038
1-ethoxy-N-ethyl-7-phenylheptan-4-amine
CID 105139776
1-(7-bicyclo[4.1.0]heptanyl)-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030487
(2R)-2-(ethylamino)-5-phenylpentanoic acid
CID 151918023

Frequently Asked Questions

What is the IUPAC name of 1-(6-bicyclo[3.1.0]hexanyl)-N-ethyl-4-phenylbutan-1-amine?
The IUPAC name of 1-(6-bicyclo[3.1.0]hexanyl)-N-ethyl-4-phenylbutan-1-amine (CID 115849575) is 1-(6-bicyclo[3.1.0]hexanyl)-N-ethyl-4-phenylbutan-1-amine.
What is the SMILES notation for 1-(6-bicyclo[3.1.0]hexanyl)-N-ethyl-4-phenylbutan-1-amine?
The canonical SMILES for 1-(6-bicyclo[3.1.0]hexanyl)-N-ethyl-4-phenylbutan-1-amine is CCNC(CCCc1ccccc1)C1C2CCCC21.
What is the InChIKey of 1-(6-bicyclo[3.1.0]hexanyl)-N-ethyl-4-phenylbutan-1-amine?
The InChIKey is WJXFTOCGUPILPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N/c1-2-19-17(18-15-11-7-12-16(15)18)13-6-10-14-8-4-3-5-9-14/h3-5,8-9,15-19H,2,6-7,10-13H2,1H3.
What are the key properties of 1-(6-bicyclo[3.1.0]hexanyl)-N-ethyl-4-phenylbutan-1-amine?
1-(6-bicyclo[3.1.0]hexanyl)-N-ethyl-4-phenylbutan-1-amine has a molecular weight of 257.42 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bicyclo[3.1.0]hexanyl)-N-ethyl-4-phenylbutan-1-amine is sourced from PubChem (CID 115849575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).