ethane;ethene;2-N-(4-phenylbut-1-en-2-yl)bicyclo[5.1.0]oct-3-ene-2,5-diamine

C22H34N2 — CID 143745430

IUPACethane;ethene;2-N-(4-phenylbut-1-en-2-yl)bicyclo[5.1.0]oct-3-ene-2,5-diamine
SMILESC=C.C=C(CCc1ccccc1)NC1C=CC(N)CC2CC21.CC
InChIInChI=1S/C18H24N2.C2H6.C2H4/c1-13(7-8-14-5-3-2-4-6-14)20-18-10-9-16(19)11-15-12-17(15)18;2*1-2/h2-6,9-10,15-18,20H,1,7-8,11-12,19H2;1-2H3;1-2H2
InChIKeyDALRCYWPPCRTNT-UHFFFAOYSA-N
MW326.53 g/mol
LogP4.84
Rot. Bonds5

About ethane;ethene;2-N-(4-phenylbut-1-en-2-yl)bicyclo[5.1.0]oct-3-ene-2,5-diamine

ethane;ethene;2-N-(4-phenylbut-1-en-2-yl)bicyclo[5.1.0]oct-3-ene-2,5-diamine (PubChem CID 143745430) has the molecular formula C22H34N2 and a molecular weight of 326.53 g/mol. Its IUPAC name is ethane;ethene;2-N-(4-phenylbut-1-en-2-yl)bicyclo[5.1.0]oct-3-ene-2,5-diamine.

Molecular Properties

Compound Nameethane;ethene;2-N-(4-phenylbut-1-en-2-yl)bicyclo[5.1.0]oct-3-ene-2,5-diamine
PubChem CID143745430
Molecular FormulaC22H34N2
Molecular Weight326.53 g/mol
Exact Mass326.27
IUPAC Nameethane;ethene;2-N-(4-phenylbut-1-en-2-yl)bicyclo[5.1.0]oct-3-ene-2,5-diamine
SMILESC=C.C=C(CCc1ccccc1)NC1C=CC(N)CC2CC21.CC
InChIInChI=1S/C18H24N2.C2H6.C2H4/c1-13(7-8-14-5-3-2-4-6-14)20-18-10-9-16(19)11-15-12-17(15)18;2*1-2/h2-6,9-10,15-18,20H,1,7-8,11-12,19H2;1-2H3;1-2H2
InChIKeyDALRCYWPPCRTNT-UHFFFAOYSA-N
XLogP4.84
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.53
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-methyl-4-phenylbut-1-en-2-amine
CID 143280576
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CID 130161533
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CID 90742356
but-2-enylbenzene;3-methylbut-3-enylbenzene
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2-(4-phenylbut-1-en-2-yl)thiirane
CID 121008176
2-methyl-N-(4-phenylbut-1-en-2-yl)pentan-1-amine
CID 134189171
1-phenylnonane-3,5-dione
CID 14763643
methanamine;1-phenylpentan-3-one
CID 167492251
N-(3-azabicyclo[3.1.0]hexan-6-yl)-3-phenylpropanamide
CID 43594407
1-O-methyl 2-O-(3-oxo-5-phenylpentyl) oxalate
CID 139293115
ethane;methane;2-phenylethylbenzene
CID 158652330
N-(2-methylprop-2-enyl)-5-phenylpent-1-en-2-amine
CID 172569226

Frequently Asked Questions

What is the IUPAC name of ethane;ethene;2-N-(4-phenylbut-1-en-2-yl)bicyclo[5.1.0]oct-3-ene-2,5-diamine?
The IUPAC name of ethane;ethene;2-N-(4-phenylbut-1-en-2-yl)bicyclo[5.1.0]oct-3-ene-2,5-diamine (CID 143745430) is ethane;ethene;2-N-(4-phenylbut-1-en-2-yl)bicyclo[5.1.0]oct-3-ene-2,5-diamine.
What is the SMILES notation for ethane;ethene;2-N-(4-phenylbut-1-en-2-yl)bicyclo[5.1.0]oct-3-ene-2,5-diamine?
The canonical SMILES for ethane;ethene;2-N-(4-phenylbut-1-en-2-yl)bicyclo[5.1.0]oct-3-ene-2,5-diamine is C=C.C=C(CCc1ccccc1)NC1C=CC(N)CC2CC21.CC.
What is the InChIKey of ethane;ethene;2-N-(4-phenylbut-1-en-2-yl)bicyclo[5.1.0]oct-3-ene-2,5-diamine?
The InChIKey is DALRCYWPPCRTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2.C2H6.C2H4/c1-13(7-8-14-5-3-2-4-6-14)20-18-10-9-16(19)11-15-12-17(15)18;2*1-2/h2-6,9-10,15-18,20H,1,7-8,11-12,19H2;1-2H3;1-2H2.
What are the key properties of ethane;ethene;2-N-(4-phenylbut-1-en-2-yl)bicyclo[5.1.0]oct-3-ene-2,5-diamine?
ethane;ethene;2-N-(4-phenylbut-1-en-2-yl)bicyclo[5.1.0]oct-3-ene-2,5-diamine has a molecular weight of 326.53 g/mol, XLogP of 4.84, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethene;2-N-(4-phenylbut-1-en-2-yl)bicyclo[5.1.0]oct-3-ene-2,5-diamine is sourced from PubChem (CID 143745430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).