2,2-dimethyl-3-[(5S)-2-methyl-5-prop-1-en-2-ylcyclopenten-1-yl]-N-phenylpropan-1-imine

C20H27N — CID 1377992

IUPAC2,2-dimethyl-3-[(5S)-2-methyl-5-prop-1-en-2-ylcyclopenten-1-yl]-N-phenylpropan-1-imine
SMILESC=C(C)[C@@H]1CCC(C)=C1CC(C)(C)/C=N/c1ccccc1
InChIInChI=1S/C20H27N/c1-15(2)18-12-11-16(3)19(18)13-20(4,5)14-21-17-9-7-6-8-10-17/h6-10,14,18H,1,11-13H2,2-5H3/b21-14+/t18-/m0/s1
InChIKeyJAMWFWATPGELGK-SXZORUHJSA-N
MW281.44 g/mol
LogP6.11
Rot. Bonds5

About 2,2-dimethyl-3-[(5S)-2-methyl-5-prop-1-en-2-ylcyclopenten-1-yl]-N-phenylpropan-1-imine

2,2-dimethyl-3-[(5S)-2-methyl-5-prop-1-en-2-ylcyclopenten-1-yl]-N-phenylpropan-1-imine (PubChem CID 1377992) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(5S)-2-methyl-5-prop-1-en-2-ylcyclopenten-1-yl]-N-phenylpropan-1-imine.

Molecular Properties

Compound Name2,2-dimethyl-3-[(5S)-2-methyl-5-prop-1-en-2-ylcyclopenten-1-yl]-N-phenylpropan-1-imine
PubChem CID1377992
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC Name2,2-dimethyl-3-[(5S)-2-methyl-5-prop-1-en-2-ylcyclopenten-1-yl]-N-phenylpropan-1-imine
SMILESC=C(C)[C@@H]1CCC(C)=C1CC(C)(C)/C=N/c1ccccc1
InChIInChI=1S/C20H27N/c1-15(2)18-12-11-16(3)19(18)13-20(4,5)14-21-17-9-7-6-8-10-17/h6-10,14,18H,1,11-13H2,2-5H3/b21-14+/t18-/m0/s1
InChIKeyJAMWFWATPGELGK-SXZORUHJSA-N
XLogP6.11
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.44
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[2,2-dimethyl-3-(2-methyl-5-prop-1-en-2-ylcyclopenten-1-yl)propyl] cyclopropanecarboxylate
CID 12022018
[(5R)-2-methyl-5-prop-1-en-2-ylcyclopenten-1-yl]methyl pyridine-4-carboxylate
CID 933449
2,2,2-trifluoro-N-phenylethanimine
CID 86178154
ethyl 2-phenyliminoacetate
CID 7095267
1-[1-(2-methylprop-2-enyl)cyclohexyl]-N-phenylmethanimine
CID 122518986
3,3,4-trimethyl-2-phenylpent-4-en-2-ol
CID 101413424
tris(1-deuterio-N-phenylmethanimidic acid);propane
CID 160628250
(4S,5S)-4,5-diphenyl-2-prop-1-en-2-yl-1,3-dioxolane
CID 20637649
N-phenylpent-3-en-1-imine
CID 91296935
3-methyl-N-phenylbutan-1-imine
CID 14418149
(5-methyl-6-phenyl-3,4-dihydro-2H-pyran-2-yl)methanol
CID 15438854
tert-butyl (2S)-2-(benzhydrylideneamino)-4-methylpent-4-enoate
CID 11360059

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[(5S)-2-methyl-5-prop-1-en-2-ylcyclopenten-1-yl]-N-phenylpropan-1-imine?
The IUPAC name of 2,2-dimethyl-3-[(5S)-2-methyl-5-prop-1-en-2-ylcyclopenten-1-yl]-N-phenylpropan-1-imine (CID 1377992) is 2,2-dimethyl-3-[(5S)-2-methyl-5-prop-1-en-2-ylcyclopenten-1-yl]-N-phenylpropan-1-imine.
What is the SMILES notation for 2,2-dimethyl-3-[(5S)-2-methyl-5-prop-1-en-2-ylcyclopenten-1-yl]-N-phenylpropan-1-imine?
The canonical SMILES for 2,2-dimethyl-3-[(5S)-2-methyl-5-prop-1-en-2-ylcyclopenten-1-yl]-N-phenylpropan-1-imine is C=C(C)[C@@H]1CCC(C)=C1CC(C)(C)/C=N/c1ccccc1.
What is the InChIKey of 2,2-dimethyl-3-[(5S)-2-methyl-5-prop-1-en-2-ylcyclopenten-1-yl]-N-phenylpropan-1-imine?
The InChIKey is JAMWFWATPGELGK-SXZORUHJSA-N. The full InChI is InChI=1S/C20H27N/c1-15(2)18-12-11-16(3)19(18)13-20(4,5)14-21-17-9-7-6-8-10-17/h6-10,14,18H,1,11-13H2,2-5H3/b21-14+/t18-/m0/s1.
What are the key properties of 2,2-dimethyl-3-[(5S)-2-methyl-5-prop-1-en-2-ylcyclopenten-1-yl]-N-phenylpropan-1-imine?
2,2-dimethyl-3-[(5S)-2-methyl-5-prop-1-en-2-ylcyclopenten-1-yl]-N-phenylpropan-1-imine has a molecular weight of 281.44 g/mol, XLogP of 6.11, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[(5S)-2-methyl-5-prop-1-en-2-ylcyclopenten-1-yl]-N-phenylpropan-1-imine is sourced from PubChem (CID 1377992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).